USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 39 TYR OH : rot -178:sc= 1.52 USER MOD Set 1.2: C 50 HIS : no HE2:sc= 0.257 K(o=1.8,f=-3.1!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -1.14 F(o=-6.3!,f=-1.5) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -0.328 F(o=-2.3,f=-1.5) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.39! C(o=-2.8!,f=-3.7!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.371 F(o=-4.4,f=-2.8) USER MOD Set 4.1: A 39 SER OG : rot -108:sc= 1.17 USER MOD Set 4.2: A 40 GLN : amide:sc= -2.9! C(o=-1.7!,f=-2.4!) USER MOD Set 5.1: A 35 HIS : no HD1:sc=-0.00495 K(o=-0.25,f=-2) USER MOD Set 5.2: B 23 ASN :FLIP amide:sc= -0.24 F(o=-4.2!,f=-0.25) USER MOD Single : A 18 TYR OH : rot 180:sc= -3.49! USER MOD Single : A 23 ASN : amide:sc= -2.96! C(o=-3!,f=-13!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.848 F(o=-2!,f=-0.85) USER MOD Single : A 32 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -94:sc= 1.03 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.434 F(o=-3!,f=-0.43) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.8) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN :FLIP amide:sc= -3.18 F(o=-4.1,f=-3.2) USER MOD Single : B 32 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.015) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : B 41 SER OG : rot -165:sc= 0.0673 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 156:sc= -0.373 (180deg=-0.761) USER MOD Single : B 50 LYS NZ :NH3+ -165:sc= -0.0396 (180deg=-0.249) USER MOD Single : B 52 ASN : amide:sc= -5.24! C(o=-5.2!,f=-12!) USER MOD Single : C 42 SER OG : rot 180:sc= -0.429 USER MOD Single : C 43 LYS NZ :NH3+ 147:sc= -0.185 (180deg=-0.981) USER MOD Single : C 44 THR OG1 : rot 180:sc=-0.00293 USER MOD Single : C 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.05) USER MOD Single : C 54 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLU A 15 -8.263 -1.239 -10.768 1.00 0.31 N ATOM 23 CA GLU A 15 -7.536 -0.033 -11.019 1.00 0.18 C ATOM 24 C GLU A 15 -6.809 0.392 -9.776 1.00 0.13 C ATOM 25 O GLU A 15 -6.969 -0.189 -8.715 1.00 0.17 O ATOM 26 CB GLU A 15 -8.482 1.070 -11.401 1.00 0.24 C ATOM 27 CG GLU A 15 -9.674 1.148 -10.495 1.00 0.30 C ATOM 28 CD GLU A 15 -10.852 0.306 -10.955 1.00 0.58 C ATOM 29 OE1 GLU A 15 -11.674 0.813 -11.745 1.00 0.94 O ATOM 30 OE2 GLU A 15 -10.970 -0.857 -10.522 1.00 1.58 O ATOM 0 HA GLU A 15 -6.830 -0.221 -11.828 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -7.952 2.022 -11.380 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -8.819 0.916 -12.426 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.380 0.829 -9.495 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -9.992 2.188 -10.417 1.00 0.30 H new ATOM 37 N ILE A 16 -6.054 1.438 -9.920 1.00 0.12 N ATOM 38 CA ILE A 16 -5.224 1.933 -8.839 1.00 0.11 C ATOM 39 C ILE A 16 -5.700 3.279 -8.320 1.00 0.10 C ATOM 40 O ILE A 16 -6.161 4.139 -9.076 1.00 0.14 O ATOM 41 CB ILE A 16 -3.757 2.089 -9.257 1.00 0.12 C ATOM 42 CG1 ILE A 16 -3.278 0.842 -9.993 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.898 2.347 -8.028 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.684 -0.197 -9.084 1.00 0.12 C ATOM 0 H ILE A 16 -5.988 1.978 -10.783 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.306 1.182 -8.053 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.669 2.938 -9.934 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -4.117 0.404 -10.534 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.535 1.131 -10.737 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.856 2.457 -8.329 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.232 3.260 -7.536 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.989 1.508 -7.338 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.364 -1.056 -9.674 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.825 0.225 -8.562 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.431 -0.514 -8.356 1.00 0.12 H new ATOM 56 N PHE A 17 -5.562 3.439 -7.018 1.00 0.09 N ATOM 57 CA PHE A 17 -5.860 4.679 -6.332 1.00 0.09 C ATOM 58 C PHE A 17 -4.784 4.940 -5.288 1.00 0.07 C ATOM 59 O PHE A 17 -4.692 4.220 -4.306 1.00 0.07 O ATOM 60 CB PHE A 17 -7.235 4.584 -5.670 1.00 0.09 C ATOM 61 CG PHE A 17 -8.362 4.524 -6.661 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.832 5.680 -7.264 1.00 1.24 C ATOM 63 CD2 PHE A 17 -8.942 3.313 -6.996 1.00 1.11 C ATOM 64 CE1 PHE A 17 -9.863 5.628 -8.182 1.00 1.28 C ATOM 65 CE2 PHE A 17 -9.974 3.256 -7.913 1.00 1.09 C ATOM 66 CZ PHE A 17 -10.434 4.414 -8.508 1.00 0.22 C ATOM 0 H PHE A 17 -5.234 2.698 -6.398 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.875 5.504 -7.045 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.267 3.697 -5.038 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.378 5.445 -5.018 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.387 6.632 -7.013 1.00 1.24 H new ATOM 0 HD2 PHE A 17 -8.584 2.404 -6.536 1.00 1.11 H new ATOM 0 HE1 PHE A 17 -10.222 6.536 -8.644 1.00 1.28 H new ATOM 0 HE2 PHE A 17 -10.421 2.306 -8.164 1.00 1.09 H new ATOM 0 HZ PHE A 17 -11.239 4.370 -9.227 1.00 0.22 H new ATOM 76 N TYR A 18 -3.945 5.936 -5.517 1.00 0.07 N ATOM 77 CA TYR A 18 -2.849 6.221 -4.599 1.00 0.06 C ATOM 78 C TYR A 18 -3.301 7.117 -3.458 1.00 0.07 C ATOM 79 O TYR A 18 -4.078 8.051 -3.661 1.00 0.09 O ATOM 80 CB TYR A 18 -1.681 6.872 -5.336 1.00 0.06 C ATOM 81 CG TYR A 18 -1.216 6.079 -6.532 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.379 4.979 -6.385 1.00 1.15 C ATOM 83 CD2 TYR A 18 -1.628 6.427 -7.808 1.00 1.19 C ATOM 84 CE1 TYR A 18 0.038 4.250 -7.483 1.00 1.16 C ATOM 85 CE2 TYR A 18 -1.221 5.707 -8.907 1.00 1.20 C ATOM 86 CZ TYR A 18 -0.390 4.623 -8.744 1.00 0.09 C ATOM 87 OH TYR A 18 0.010 3.911 -9.846 1.00 0.10 O ATOM 0 H TYR A 18 -3.998 6.558 -6.324 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.520 5.270 -4.180 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.976 7.869 -5.662 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.848 6.996 -4.645 1.00 0.06 H new ATOM 0 HD1 TYR A 18 -0.050 4.690 -5.398 1.00 1.15 H new ATOM 0 HD2 TYR A 18 -2.280 7.278 -7.942 1.00 1.19 H new ATOM 0 HE1 TYR A 18 0.691 3.399 -7.357 1.00 1.16 H new ATOM 0 HE2 TYR A 18 -1.553 5.992 -9.895 1.00 1.20 H new ATOM 0 HH TYR A 18 -0.383 4.307 -10.652 1.00 0.10 H new ATOM 97 N LEU A 19 -2.809 6.834 -2.257 1.00 0.07 N ATOM 98 CA LEU A 19 -3.114 7.649 -1.093 1.00 0.08 C ATOM 99 C LEU A 19 -1.816 8.131 -0.460 1.00 0.11 C ATOM 100 O LEU A 19 -1.461 7.705 0.633 1.00 0.12 O ATOM 101 CB LEU A 19 -3.900 6.872 -0.027 1.00 0.07 C ATOM 102 CG LEU A 19 -5.201 6.178 -0.455 1.00 0.07 C ATOM 103 CD1 LEU A 19 -6.104 7.121 -1.228 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.927 4.913 -1.246 1.00 0.08 C ATOM 0 H LEU A 19 -2.195 6.042 -2.066 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.726 8.483 -1.437 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.238 6.113 0.389 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.140 7.563 0.781 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.725 5.888 0.456 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -7.016 6.598 -1.516 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.359 7.976 -0.602 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.587 7.468 -2.123 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.872 4.450 -1.531 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.359 5.160 -2.143 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.353 4.218 -0.633 1.00 0.08 H new ATOM 116 N PRO A 20 -1.101 9.051 -1.116 1.00 0.13 N ATOM 117 CA PRO A 20 0.196 9.522 -0.628 1.00 0.16 C ATOM 118 C PRO A 20 0.048 10.530 0.496 1.00 0.22 C ATOM 119 O PRO A 20 1.025 11.108 0.968 1.00 0.28 O ATOM 120 CB PRO A 20 0.787 10.206 -1.847 1.00 0.16 C ATOM 121 CG PRO A 20 -0.398 10.732 -2.581 1.00 0.16 C ATOM 122 CD PRO A 20 -1.490 9.721 -2.372 1.00 0.13 C ATOM 0 HA PRO A 20 0.803 8.712 -0.224 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.468 11.008 -1.563 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.357 9.507 -2.459 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.692 11.710 -2.200 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.178 10.856 -3.641 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.467 10.197 -2.288 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.549 9.016 -3.202 1.00 0.13 H new ATOM 130 N ASN A 21 -1.182 10.730 0.919 1.00 0.22 N ATOM 131 CA ASN A 21 -1.490 11.759 1.891 1.00 0.27 C ATOM 132 C ASN A 21 -1.615 11.150 3.260 1.00 0.25 C ATOM 133 O ASN A 21 -1.295 11.764 4.274 1.00 0.31 O ATOM 134 CB ASN A 21 -2.795 12.449 1.510 1.00 0.30 C ATOM 135 CG ASN A 21 -2.655 13.291 0.260 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.578 13.794 -0.049 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.745 13.464 -0.462 1.00 0.35 N ATOM 0 H ASN A 21 -1.989 10.191 0.604 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.685 12.494 1.903 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.569 11.697 1.355 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -3.125 13.080 2.336 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.711 14.032 -1.309 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.622 13.030 -0.174 1.00 0.35 H new ATOM 144 N LEU A 22 -2.039 9.910 3.258 1.00 0.18 N ATOM 145 CA LEU A 22 -2.399 9.213 4.473 1.00 0.17 C ATOM 146 C LEU A 22 -1.135 8.694 5.144 1.00 0.20 C ATOM 147 O LEU A 22 -0.271 8.121 4.483 1.00 0.35 O ATOM 148 CB LEU A 22 -3.364 8.079 4.101 1.00 0.14 C ATOM 149 CG LEU A 22 -4.478 8.523 3.141 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.510 7.431 2.906 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.143 9.778 3.664 1.00 0.11 C ATOM 0 H LEU A 22 -2.145 9.352 2.411 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.897 9.874 5.182 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.800 7.267 3.642 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.814 7.681 5.010 1.00 0.14 H new ATOM 0 HG LEU A 22 -4.014 8.733 2.177 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.275 7.795 2.221 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -5.023 6.557 2.474 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -5.973 7.157 3.854 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -5.931 10.085 2.977 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.574 9.580 4.645 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.403 10.574 3.747 1.00 0.11 H new ATOM 163 N ASN A 23 -0.992 8.942 6.438 1.00 0.17 N ATOM 164 CA ASN A 23 0.202 8.515 7.155 1.00 0.20 C ATOM 165 C ASN A 23 0.191 7.002 7.318 1.00 0.24 C ATOM 166 O ASN A 23 -0.857 6.381 7.140 1.00 0.34 O ATOM 167 CB ASN A 23 0.332 9.231 8.511 1.00 0.33 C ATOM 168 CG ASN A 23 -0.299 8.504 9.680 1.00 0.66 C ATOM 169 OD1 ASN A 23 -1.314 7.829 9.559 1.00 1.47 O ATOM 170 ND2 ASN A 23 0.331 8.629 10.826 1.00 0.99 N ATOM 0 H ASN A 23 -1.681 9.432 7.009 1.00 0.17 H new ATOM 0 HA ASN A 23 1.078 8.793 6.570 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.390 9.383 8.725 1.00 0.33 H new ATOM 0 HB3 ASN A 23 -0.122 10.219 8.429 1.00 0.33 H new ATOM 0 HD21 ASN A 23 -0.022 8.154 11.657 1.00 0.99 H new ATOM 0 HD22 ASN A 23 1.174 9.201 10.885 1.00 0.99 H new ATOM 177 N PRO A 24 1.346 6.385 7.613 1.00 0.22 N ATOM 178 CA PRO A 24 1.460 4.929 7.770 1.00 0.23 C ATOM 179 C PRO A 24 0.306 4.300 8.552 1.00 0.23 C ATOM 180 O PRO A 24 -0.184 3.233 8.186 1.00 0.23 O ATOM 181 CB PRO A 24 2.764 4.792 8.543 1.00 0.25 C ATOM 182 CG PRO A 24 3.602 5.893 8.002 1.00 0.24 C ATOM 183 CD PRO A 24 2.655 7.047 7.796 1.00 0.22 C ATOM 0 HA PRO A 24 1.434 4.413 6.810 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.608 4.896 9.617 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.227 3.818 8.381 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.400 6.158 8.696 1.00 0.24 H new ATOM 0 HG3 PRO A 24 4.077 5.602 7.065 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.649 7.720 8.653 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.930 7.642 6.925 1.00 0.22 H new ATOM 191 N ASP A 25 -0.152 4.981 9.598 1.00 0.22 N ATOM 192 CA ASP A 25 -1.195 4.432 10.457 1.00 0.23 C ATOM 193 C ASP A 25 -2.515 4.364 9.704 1.00 0.24 C ATOM 194 O ASP A 25 -3.195 3.341 9.717 1.00 0.27 O ATOM 195 CB ASP A 25 -1.356 5.266 11.731 1.00 0.28 C ATOM 196 CG ASP A 25 -2.389 4.681 12.674 1.00 0.97 C ATOM 197 OD1 ASP A 25 -2.086 3.670 13.344 1.00 1.66 O ATOM 198 OD2 ASP A 25 -3.509 5.225 12.755 1.00 1.67 O ATOM 0 H ASP A 25 0.180 5.907 9.870 1.00 0.22 H new ATOM 0 HA ASP A 25 -0.899 3.424 10.747 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -0.396 5.332 12.243 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -1.646 6.282 11.463 1.00 0.28 H new ATOM 203 N GLN A 26 -2.854 5.457 9.033 1.00 0.23 N ATOM 204 CA GLN A 26 -4.047 5.523 8.194 1.00 0.25 C ATOM 205 C GLN A 26 -3.940 4.523 7.057 1.00 0.25 C ATOM 206 O GLN A 26 -4.837 3.717 6.821 1.00 0.26 O ATOM 207 CB GLN A 26 -4.174 6.915 7.593 1.00 0.26 C ATOM 208 CG GLN A 26 -4.042 8.027 8.603 1.00 0.29 C ATOM 209 CD GLN A 26 -5.307 8.248 9.399 1.00 0.31 C ATOM 210 OE1 GLN A 26 -6.168 9.110 8.895 1.00 0.59 O flip ATOM 211 NE2 GLN A 26 -5.510 7.649 10.452 1.00 0.21 N flip ATOM 0 H GLN A 26 -2.313 6.321 9.054 1.00 0.23 H new ATOM 0 HA GLN A 26 -4.917 5.295 8.810 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.410 7.041 6.826 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.141 7.000 7.097 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.224 7.796 9.286 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.776 8.950 8.088 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -4.816 6.990 10.806 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -6.372 7.810 10.972 1.00 0.21 H new ATOM 220 N LEU A 27 -2.821 4.612 6.357 1.00 0.24 N ATOM 221 CA LEU A 27 -2.540 3.776 5.198 1.00 0.25 C ATOM 222 C LEU A 27 -2.638 2.290 5.547 1.00 0.23 C ATOM 223 O LEU A 27 -3.300 1.522 4.847 1.00 0.25 O ATOM 224 CB LEU A 27 -1.145 4.127 4.665 1.00 0.28 C ATOM 225 CG LEU A 27 -1.005 4.248 3.148 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.346 4.108 2.440 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.368 5.579 2.816 1.00 0.23 C ATOM 0 H LEU A 27 -2.075 5.272 6.578 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.285 3.969 4.426 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.837 5.072 5.112 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.446 3.367 5.013 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.372 3.434 2.794 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.201 4.200 1.364 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.776 3.132 2.666 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.022 4.891 2.783 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.264 5.673 1.735 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -0.996 6.387 3.192 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.616 5.638 3.281 1.00 0.23 H new ATOM 239 N CYS A 28 -2.000 1.895 6.639 1.00 0.21 N ATOM 240 CA CYS A 28 -2.049 0.510 7.096 1.00 0.22 C ATOM 241 C CYS A 28 -3.461 0.139 7.544 1.00 0.21 C ATOM 242 O CYS A 28 -3.907 -0.997 7.357 1.00 0.22 O ATOM 243 CB CYS A 28 -1.060 0.295 8.245 1.00 0.26 C ATOM 244 SG CYS A 28 -1.006 -1.411 8.879 1.00 0.32 S ATOM 0 H CYS A 28 -1.441 2.513 7.227 1.00 0.21 H new ATOM 0 HA CYS A 28 -1.770 -0.135 6.263 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.062 0.576 7.907 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.321 0.966 9.063 1.00 0.26 H new ATOM 249 N ALA A 29 -4.171 1.110 8.111 1.00 0.21 N ATOM 250 CA ALA A 29 -5.513 0.879 8.632 1.00 0.22 C ATOM 251 C ALA A 29 -6.486 0.517 7.524 1.00 0.17 C ATOM 252 O ALA A 29 -7.422 -0.254 7.747 1.00 0.18 O ATOM 253 CB ALA A 29 -6.016 2.100 9.387 1.00 0.24 C ATOM 0 H ALA A 29 -3.837 2.067 8.221 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.453 0.036 9.321 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.019 1.905 9.767 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.347 2.313 10.221 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.043 2.958 8.715 1.00 0.24 H new ATOM 259 N PHE A 30 -6.265 1.066 6.330 1.00 0.13 N ATOM 260 CA PHE A 30 -7.154 0.802 5.209 1.00 0.10 C ATOM 261 C PHE A 30 -7.235 -0.696 4.933 1.00 0.09 C ATOM 262 O PHE A 30 -8.309 -1.282 5.039 1.00 0.09 O ATOM 263 CB PHE A 30 -6.678 1.585 3.960 1.00 0.10 C ATOM 264 CG PHE A 30 -7.155 1.052 2.619 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.362 0.381 2.490 1.00 1.18 C ATOM 266 CD2 PHE A 30 -6.370 1.211 1.486 1.00 1.16 C ATOM 267 CE1 PHE A 30 -8.772 -0.116 1.267 1.00 1.18 C ATOM 268 CE2 PHE A 30 -6.785 0.717 0.265 1.00 1.15 C ATOM 269 CZ PHE A 30 -7.982 0.054 0.158 1.00 0.06 C ATOM 0 H PHE A 30 -5.486 1.689 6.119 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.158 1.144 5.460 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -7.008 2.619 4.056 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.588 1.598 3.957 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -8.991 0.245 3.358 1.00 1.18 H new ATOM 0 HD2 PHE A 30 -5.424 1.727 1.560 1.00 1.16 H new ATOM 0 HE1 PHE A 30 -9.714 -0.638 1.184 1.00 1.18 H new ATOM 0 HE2 PHE A 30 -6.165 0.853 -0.609 1.00 1.15 H new ATOM 0 HZ PHE A 30 -8.302 -0.333 -0.798 1.00 0.06 H new ATOM 279 N PHE A 31 -6.100 -1.336 4.682 1.00 0.10 N ATOM 280 CA PHE A 31 -6.118 -2.740 4.289 1.00 0.10 C ATOM 281 C PHE A 31 -6.388 -3.631 5.490 1.00 0.11 C ATOM 282 O PHE A 31 -6.771 -4.781 5.335 1.00 0.12 O ATOM 283 CB PHE A 31 -4.816 -3.177 3.621 1.00 0.11 C ATOM 284 CG PHE A 31 -4.337 -2.269 2.520 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.509 -1.192 2.797 1.00 0.94 C ATOM 286 CD2 PHE A 31 -4.701 -2.509 1.207 1.00 0.98 C ATOM 287 CE1 PHE A 31 -3.060 -0.369 1.782 1.00 0.94 C ATOM 288 CE2 PHE A 31 -4.253 -1.691 0.187 1.00 0.98 C ATOM 289 CZ PHE A 31 -3.431 -0.620 0.474 1.00 0.12 C ATOM 0 H PHE A 31 -5.172 -0.916 4.742 1.00 0.10 H new ATOM 0 HA PHE A 31 -6.922 -2.846 3.561 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.038 -3.244 4.382 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -4.951 -4.179 3.214 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.212 -0.994 3.816 1.00 0.94 H new ATOM 0 HD2 PHE A 31 -5.343 -3.346 0.976 1.00 0.98 H new ATOM 0 HE1 PHE A 31 -2.419 0.470 2.010 1.00 0.94 H new ATOM 0 HE2 PHE A 31 -4.546 -1.890 -0.833 1.00 0.98 H new ATOM 0 HZ PHE A 31 -3.079 0.020 -0.321 1.00 0.12 H new ATOM 299 N HIS A 32 -6.164 -3.107 6.686 1.00 0.11 N ATOM 300 CA HIS A 32 -6.353 -3.890 7.905 1.00 0.12 C ATOM 301 C HIS A 32 -7.803 -4.354 8.017 1.00 0.12 C ATOM 302 O HIS A 32 -8.074 -5.491 8.402 1.00 0.15 O ATOM 303 CB HIS A 32 -5.950 -3.076 9.141 1.00 0.15 C ATOM 304 CG HIS A 32 -5.933 -3.878 10.410 1.00 0.23 C ATOM 305 ND1 HIS A 32 -4.791 -4.457 10.923 1.00 1.09 N ATOM 306 CD2 HIS A 32 -6.931 -4.200 11.269 1.00 1.05 C ATOM 307 CE1 HIS A 32 -5.088 -5.101 12.035 1.00 0.81 C ATOM 308 NE2 HIS A 32 -6.379 -4.960 12.266 1.00 0.65 N ATOM 0 H HIS A 32 -5.853 -2.148 6.842 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.710 -4.769 7.853 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -4.960 -2.649 8.978 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.642 -2.242 9.258 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -7.968 -3.911 11.183 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -4.392 -5.651 12.652 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -6.885 -5.354 13.059 1.00 0.65 H new ATOM 317 N SER A 33 -8.721 -3.465 7.676 1.00 0.11 N ATOM 318 CA SER A 33 -10.140 -3.784 7.672 1.00 0.13 C ATOM 319 C SER A 33 -10.460 -4.638 6.456 1.00 0.12 C ATOM 320 O SER A 33 -11.217 -5.605 6.522 1.00 0.14 O ATOM 321 CB SER A 33 -10.963 -2.493 7.646 1.00 0.15 C ATOM 322 OG SER A 33 -10.672 -1.687 8.775 1.00 0.22 O ATOM 0 H SER A 33 -8.506 -2.508 7.396 1.00 0.11 H new ATOM 0 HA SER A 33 -10.393 -4.339 8.575 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.749 -1.938 6.733 1.00 0.15 H new ATOM 0 HB3 SER A 33 -12.026 -2.734 7.630 1.00 0.15 H new ATOM 0 HG SER A 33 -11.207 -0.867 8.738 1.00 0.22 H new ATOM 328 N VAL A 34 -9.845 -4.254 5.351 1.00 0.10 N ATOM 329 CA VAL A 34 -10.030 -4.913 4.070 1.00 0.11 C ATOM 330 C VAL A 34 -9.630 -6.374 4.114 1.00 0.13 C ATOM 331 O VAL A 34 -10.392 -7.249 3.741 1.00 0.15 O ATOM 332 CB VAL A 34 -9.177 -4.246 2.985 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.424 -4.893 1.663 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.446 -2.773 2.889 1.00 0.08 C ATOM 0 H VAL A 34 -9.196 -3.468 5.318 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.093 -4.829 3.842 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.132 -4.377 3.266 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -8.812 -4.410 0.901 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.164 -5.950 1.721 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.477 -4.793 1.400 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.821 -2.339 2.108 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.496 -2.610 2.646 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.217 -2.298 3.843 1.00 0.08 H new ATOM 344 N HIS A 35 -8.421 -6.622 4.552 1.00 0.14 N ATOM 345 CA HIS A 35 -7.846 -7.957 4.487 1.00 0.17 C ATOM 346 C HIS A 35 -8.580 -8.913 5.417 1.00 0.18 C ATOM 347 O HIS A 35 -8.633 -10.118 5.170 1.00 0.21 O ATOM 348 CB HIS A 35 -6.352 -7.898 4.799 1.00 0.20 C ATOM 349 CG HIS A 35 -5.584 -9.115 4.377 1.00 0.36 C ATOM 350 ND1 HIS A 35 -4.811 -9.152 3.237 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.455 -10.334 4.952 1.00 0.85 C ATOM 352 CE1 HIS A 35 -4.246 -10.337 3.127 1.00 1.25 C ATOM 353 NE2 HIS A 35 -4.619 -11.075 4.155 1.00 0.55 N ATOM 0 H HIS A 35 -7.807 -5.918 4.961 1.00 0.14 H new ATOM 0 HA HIS A 35 -7.965 -8.343 3.475 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -5.924 -7.024 4.307 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.222 -7.755 5.872 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -5.923 -10.662 5.868 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -3.589 -10.651 2.330 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.333 -12.038 4.329 1.00 0.55 H new ATOM 362 N ASP A 36 -9.135 -8.365 6.486 1.00 0.17 N ATOM 363 CA ASP A 36 -9.963 -9.134 7.408 1.00 0.18 C ATOM 364 C ASP A 36 -11.211 -9.665 6.701 1.00 0.19 C ATOM 365 O ASP A 36 -11.742 -10.723 7.047 1.00 0.21 O ATOM 366 CB ASP A 36 -10.363 -8.256 8.599 1.00 0.20 C ATOM 367 CG ASP A 36 -11.292 -8.960 9.565 1.00 0.65 C ATOM 368 OD1 ASP A 36 -10.804 -9.775 10.377 1.00 1.26 O ATOM 369 OD2 ASP A 36 -12.513 -8.699 9.525 1.00 1.51 O ATOM 0 H ASP A 36 -9.027 -7.383 6.740 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.387 -9.986 7.767 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -9.465 -7.942 9.130 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -10.848 -7.352 8.231 1.00 0.20 H new ATOM 374 N ASP A 37 -11.629 -8.946 5.671 1.00 0.19 N ATOM 375 CA ASP A 37 -12.881 -9.230 4.970 1.00 0.24 C ATOM 376 C ASP A 37 -12.931 -8.410 3.688 1.00 0.23 C ATOM 377 O ASP A 37 -13.451 -7.295 3.665 1.00 0.25 O ATOM 378 CB ASP A 37 -14.088 -8.898 5.855 1.00 0.31 C ATOM 379 CG ASP A 37 -15.404 -9.409 5.288 1.00 0.53 C ATOM 380 OD1 ASP A 37 -15.446 -9.810 4.104 1.00 1.28 O ATOM 381 OD2 ASP A 37 -16.409 -9.419 6.028 1.00 1.18 O ATOM 0 H ASP A 37 -11.114 -8.150 5.295 1.00 0.19 H new ATOM 0 HA ASP A 37 -12.921 -10.292 4.730 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -13.934 -9.328 6.845 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.150 -7.817 5.984 1.00 0.31 H new ATOM 386 N PRO A 38 -12.361 -8.948 2.601 1.00 0.23 N ATOM 387 CA PRO A 38 -12.160 -8.216 1.339 1.00 0.25 C ATOM 388 C PRO A 38 -13.453 -7.757 0.658 1.00 0.29 C ATOM 389 O PRO A 38 -13.413 -7.185 -0.429 1.00 0.34 O ATOM 390 CB PRO A 38 -11.410 -9.224 0.460 1.00 0.28 C ATOM 391 CG PRO A 38 -10.816 -10.190 1.426 1.00 0.28 C ATOM 392 CD PRO A 38 -11.827 -10.317 2.518 1.00 0.26 C ATOM 0 HA PRO A 38 -11.624 -7.283 1.515 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.084 -9.723 -0.236 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -10.640 -8.735 -0.137 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -10.623 -11.153 0.953 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -9.863 -9.827 1.811 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -12.602 -11.043 2.274 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -11.375 -10.636 3.457 1.00 0.26 H new ATOM 400 N SER A 39 -14.591 -8.001 1.289 1.00 0.28 N ATOM 401 CA SER A 39 -15.867 -7.560 0.748 1.00 0.33 C ATOM 402 C SER A 39 -16.039 -6.046 0.912 1.00 0.36 C ATOM 403 O SER A 39 -16.642 -5.384 0.067 1.00 0.59 O ATOM 404 CB SER A 39 -17.013 -8.299 1.440 1.00 0.34 C ATOM 405 OG SER A 39 -16.973 -8.094 2.842 1.00 1.19 O ATOM 0 H SER A 39 -14.657 -8.501 2.175 1.00 0.28 H new ATOM 0 HA SER A 39 -15.885 -7.790 -0.317 1.00 0.33 H new ATOM 0 HB2 SER A 39 -17.967 -7.951 1.045 1.00 0.34 H new ATOM 0 HB3 SER A 39 -16.948 -9.365 1.222 1.00 0.34 H new ATOM 0 HG SER A 39 -16.687 -8.920 3.285 1.00 1.19 H new ATOM 411 N GLN A 40 -15.481 -5.492 1.988 1.00 0.22 N ATOM 412 CA GLN A 40 -15.652 -4.073 2.287 1.00 0.21 C ATOM 413 C GLN A 40 -14.547 -3.237 1.667 1.00 0.16 C ATOM 414 O GLN A 40 -14.553 -2.020 1.763 1.00 0.16 O ATOM 415 CB GLN A 40 -15.688 -3.847 3.790 1.00 0.23 C ATOM 416 CG GLN A 40 -14.628 -4.628 4.547 1.00 0.21 C ATOM 417 CD GLN A 40 -15.224 -5.604 5.539 1.00 0.67 C ATOM 418 OE1 GLN A 40 -14.653 -5.845 6.601 1.00 1.09 O ATOM 419 NE2 GLN A 40 -16.359 -6.188 5.195 1.00 0.97 N ATOM 0 H GLN A 40 -14.910 -6.001 2.663 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.601 -3.758 1.853 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.558 -2.784 3.992 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.672 -4.126 4.168 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -14.006 -5.172 3.836 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -13.976 -3.932 5.074 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -16.800 -5.960 4.304 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -16.793 -6.867 5.820 1.00 0.97 H new ATOM 428 N SER A 41 -13.608 -3.921 1.052 1.00 0.15 N ATOM 429 CA SER A 41 -12.490 -3.329 0.343 1.00 0.13 C ATOM 430 C SER A 41 -12.885 -2.094 -0.467 1.00 0.11 C ATOM 431 O SER A 41 -12.314 -1.031 -0.271 1.00 0.11 O ATOM 432 CB SER A 41 -11.897 -4.390 -0.574 1.00 0.18 C ATOM 433 OG SER A 41 -12.856 -4.846 -1.514 1.00 0.82 O ATOM 0 H SER A 41 -13.600 -4.941 1.030 1.00 0.15 H new ATOM 0 HA SER A 41 -11.759 -2.990 1.077 1.00 0.13 H new ATOM 0 HB2 SER A 41 -11.034 -3.980 -1.099 1.00 0.18 H new ATOM 0 HB3 SER A 41 -11.538 -5.230 0.021 1.00 0.18 H new ATOM 0 HG SER A 41 -13.302 -5.645 -1.164 1.00 0.82 H new ATOM 439 N ALA A 42 -13.862 -2.237 -1.362 1.00 0.13 N ATOM 440 CA ALA A 42 -14.329 -1.121 -2.189 1.00 0.13 C ATOM 441 C ALA A 42 -14.762 0.065 -1.330 1.00 0.12 C ATOM 442 O ALA A 42 -14.489 1.221 -1.652 1.00 0.12 O ATOM 443 CB ALA A 42 -15.481 -1.573 -3.071 1.00 0.18 C ATOM 0 H ALA A 42 -14.348 -3.117 -1.534 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.499 -0.797 -2.817 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.821 -0.737 -3.682 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -15.147 -2.383 -3.719 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.302 -1.923 -2.446 1.00 0.18 H new ATOM 449 N ASN A 43 -15.421 -0.245 -0.226 1.00 0.12 N ATOM 450 CA ASN A 43 -15.892 0.764 0.721 1.00 0.13 C ATOM 451 C ASN A 43 -14.712 1.397 1.422 1.00 0.10 C ATOM 452 O ASN A 43 -14.661 2.603 1.650 1.00 0.11 O ATOM 453 CB ASN A 43 -16.769 0.116 1.793 1.00 0.16 C ATOM 454 CG ASN A 43 -17.959 -0.623 1.232 1.00 0.18 C ATOM 455 OD1 ASN A 43 -17.786 -1.909 1.012 1.00 0.20 O flip ATOM 456 ND2 ASN A 43 -19.028 -0.051 1.021 1.00 0.20 N flip ATOM 0 H ASN A 43 -15.647 -1.203 0.043 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.460 1.510 0.166 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.163 -0.577 2.377 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -17.120 0.887 2.478 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -19.117 0.948 1.206 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -19.825 -0.576 0.661 1.00 0.20 H new ATOM 463 N LEU A 44 -13.774 0.546 1.762 1.00 0.09 N ATOM 464 CA LEU A 44 -12.633 0.919 2.561 1.00 0.08 C ATOM 465 C LEU A 44 -11.704 1.796 1.757 1.00 0.07 C ATOM 466 O LEU A 44 -11.224 2.836 2.204 1.00 0.08 O ATOM 467 CB LEU A 44 -11.918 -0.348 3.013 1.00 0.08 C ATOM 468 CG LEU A 44 -12.229 -0.814 4.429 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.478 -0.149 4.983 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.393 -2.313 4.425 1.00 0.12 C ATOM 0 H LEU A 44 -13.782 -0.436 1.488 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.958 1.483 3.435 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.171 -1.152 2.322 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.843 -0.185 2.932 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.400 -0.528 5.077 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.664 -0.509 5.995 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.336 0.932 5.003 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.331 -0.392 4.349 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.616 -2.657 5.435 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.211 -2.588 3.759 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.471 -2.779 4.078 1.00 0.12 H new ATOM 482 N LEU A 45 -11.481 1.327 0.553 1.00 0.07 N ATOM 483 CA LEU A 45 -10.716 2.004 -0.467 1.00 0.07 C ATOM 484 C LEU A 45 -11.305 3.400 -0.673 1.00 0.07 C ATOM 485 O LEU A 45 -10.586 4.385 -0.758 1.00 0.08 O ATOM 486 CB LEU A 45 -10.864 1.126 -1.702 1.00 0.07 C ATOM 487 CG LEU A 45 -9.996 1.387 -2.931 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.881 1.302 -4.144 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.240 2.708 -2.880 1.00 0.08 C ATOM 0 H LEU A 45 -11.843 0.425 0.244 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.664 2.142 -0.218 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.686 0.097 -1.391 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.905 1.187 -2.021 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.214 0.629 -2.969 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.288 1.484 -5.040 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.327 0.309 -4.200 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.670 2.051 -4.072 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.646 2.823 -3.787 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.951 3.531 -2.805 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.582 2.717 -2.011 1.00 0.08 H new ATOM 501 N ALA A 46 -12.626 3.459 -0.728 1.00 0.08 N ATOM 502 CA ALA A 46 -13.356 4.715 -0.809 1.00 0.09 C ATOM 503 C ALA A 46 -12.980 5.678 0.312 1.00 0.09 C ATOM 504 O ALA A 46 -12.663 6.822 0.048 1.00 0.11 O ATOM 505 CB ALA A 46 -14.832 4.428 -0.753 1.00 0.10 C ATOM 0 H ALA A 46 -13.225 2.634 -0.718 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.091 5.196 -1.751 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.387 5.364 -0.813 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.110 3.787 -1.590 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.070 3.925 0.184 1.00 0.10 H new ATOM 511 N GLU A 47 -13.016 5.206 1.555 1.00 0.09 N ATOM 512 CA GLU A 47 -12.687 6.011 2.716 1.00 0.10 C ATOM 513 C GLU A 47 -11.221 6.378 2.678 1.00 0.09 C ATOM 514 O GLU A 47 -10.821 7.397 3.208 1.00 0.09 O ATOM 515 CB GLU A 47 -13.014 5.251 4.003 1.00 0.11 C ATOM 516 CG GLU A 47 -14.410 4.658 4.008 1.00 0.16 C ATOM 517 CD GLU A 47 -14.928 4.391 5.405 1.00 0.31 C ATOM 518 OE1 GLU A 47 -14.542 3.368 6.004 1.00 1.19 O ATOM 519 OE2 GLU A 47 -15.742 5.194 5.909 1.00 1.13 O ATOM 0 H GLU A 47 -13.277 4.246 1.781 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.284 6.923 2.698 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.286 4.451 4.140 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.910 5.926 4.852 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.091 5.339 3.497 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.406 3.726 3.442 1.00 0.16 H new ATOM 526 N ALA A 48 -10.433 5.529 2.038 1.00 0.08 N ATOM 527 CA ALA A 48 -9.032 5.813 1.790 1.00 0.08 C ATOM 528 C ALA A 48 -8.905 6.960 0.790 1.00 0.08 C ATOM 529 O ALA A 48 -8.129 7.892 0.991 1.00 0.08 O ATOM 530 CB ALA A 48 -8.340 4.564 1.269 1.00 0.08 C ATOM 0 H ALA A 48 -10.747 4.628 1.678 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.551 6.113 2.721 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.288 4.781 1.084 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.421 3.768 2.009 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.814 4.246 0.340 1.00 0.08 H new ATOM 536 N LYS A 49 -9.715 6.896 -0.263 1.00 0.08 N ATOM 537 CA LYS A 49 -9.740 7.913 -1.312 1.00 0.09 C ATOM 538 C LYS A 49 -10.258 9.201 -0.716 1.00 0.10 C ATOM 539 O LYS A 49 -9.698 10.281 -0.877 1.00 0.13 O ATOM 540 CB LYS A 49 -10.699 7.479 -2.424 1.00 0.09 C ATOM 541 CG LYS A 49 -10.286 6.247 -3.195 1.00 0.09 C ATOM 542 CD LYS A 49 -11.524 5.470 -3.606 1.00 0.09 C ATOM 543 CE LYS A 49 -11.340 4.749 -4.916 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.643 4.358 -5.513 1.00 0.71 N ATOM 0 H LYS A 49 -10.376 6.134 -0.414 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.738 8.047 -1.719 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.680 7.299 -1.984 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.811 8.305 -3.126 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.713 6.532 -4.077 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.638 5.621 -2.582 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.771 4.748 -2.828 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.369 6.154 -3.686 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.798 5.390 -5.612 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.729 3.860 -4.760 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.478 3.864 -6.413 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -13.149 3.727 -4.859 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.216 5.209 -5.685 1.00 0.71 H new ATOM 558 N LYS A 50 -11.346 9.020 -0.016 1.00 0.11 N ATOM 559 CA LYS A 50 -12.053 10.051 0.687 1.00 0.12 C ATOM 560 C LYS A 50 -11.170 10.703 1.741 1.00 0.12 C ATOM 561 O LYS A 50 -11.194 11.913 1.910 1.00 0.15 O ATOM 562 CB LYS A 50 -13.285 9.389 1.290 1.00 0.14 C ATOM 563 CG LYS A 50 -13.716 9.967 2.611 1.00 0.17 C ATOM 564 CD LYS A 50 -14.783 9.116 3.261 1.00 0.27 C ATOM 565 CE LYS A 50 -15.007 9.549 4.683 1.00 1.06 C ATOM 566 NZ LYS A 50 -15.894 10.738 4.775 1.00 1.19 N ATOM 0 H LYS A 50 -11.783 8.103 0.083 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.348 10.860 0.019 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -14.111 9.473 0.583 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -13.084 8.326 1.420 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.855 10.044 3.275 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -14.095 10.978 2.462 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -15.713 9.197 2.699 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.486 8.068 3.236 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -15.446 8.726 5.247 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -14.047 9.777 5.147 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -16.020 11.001 5.773 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -15.464 11.533 4.260 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -16.819 10.514 4.356 1.00 1.19 H new ATOM 580 N LEU A 51 -10.401 9.888 2.438 1.00 0.11 N ATOM 581 CA LEU A 51 -9.411 10.370 3.393 1.00 0.12 C ATOM 582 C LEU A 51 -8.329 11.155 2.701 1.00 0.12 C ATOM 583 O LEU A 51 -7.989 12.269 3.094 1.00 0.13 O ATOM 584 CB LEU A 51 -8.763 9.200 4.082 1.00 0.11 C ATOM 585 CG LEU A 51 -7.961 9.539 5.317 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.786 10.389 6.259 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.501 8.252 5.968 1.00 0.12 C ATOM 0 H LEU A 51 -10.442 8.872 2.361 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.924 11.011 4.110 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.540 8.487 4.358 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.108 8.698 3.370 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.081 10.124 5.049 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.197 10.627 7.145 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.075 11.312 5.757 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.681 9.841 6.554 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.921 8.483 6.861 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.369 7.653 6.244 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.882 7.691 5.268 1.00 0.12 H new ATOM 599 N ASN A 52 -7.779 10.531 1.681 1.00 0.11 N ATOM 600 CA ASN A 52 -6.773 11.146 0.825 1.00 0.11 C ATOM 601 C ASN A 52 -7.246 12.515 0.384 1.00 0.13 C ATOM 602 O ASN A 52 -6.478 13.458 0.329 1.00 0.15 O ATOM 603 CB ASN A 52 -6.528 10.247 -0.388 1.00 0.12 C ATOM 604 CG ASN A 52 -5.961 10.968 -1.590 1.00 0.16 C ATOM 605 OD1 ASN A 52 -4.652 11.042 -1.663 1.00 0.20 O flip ATOM 606 ND2 ASN A 52 -6.695 11.452 -2.446 1.00 0.19 N flip ATOM 0 H ASN A 52 -8.016 9.575 1.416 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.839 11.263 1.375 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.844 9.448 -0.102 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.468 9.775 -0.672 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -7.708 11.373 -2.353 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -6.292 11.933 -3.250 1.00 0.19 H new ATOM 613 N ASP A 53 -8.528 12.587 0.119 1.00 0.14 N ATOM 614 CA ASP A 53 -9.191 13.803 -0.321 1.00 0.17 C ATOM 615 C ASP A 53 -9.449 14.728 0.856 1.00 0.19 C ATOM 616 O ASP A 53 -9.329 15.947 0.748 1.00 0.22 O ATOM 617 CB ASP A 53 -10.512 13.447 -1.011 1.00 0.17 C ATOM 618 CG ASP A 53 -11.284 14.667 -1.467 1.00 0.71 C ATOM 619 OD1 ASP A 53 -12.113 15.180 -0.684 1.00 1.34 O ATOM 620 OD2 ASP A 53 -11.084 15.105 -2.617 1.00 1.53 O ATOM 0 H ASP A 53 -9.157 11.789 0.203 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.543 14.321 -1.027 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.307 12.810 -1.871 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.130 12.867 -0.325 1.00 0.17 H new ATOM 625 N ALA A 54 -9.783 14.120 1.982 1.00 0.18 N ATOM 626 CA ALA A 54 -10.205 14.839 3.164 1.00 0.21 C ATOM 627 C ALA A 54 -9.082 15.675 3.709 1.00 0.24 C ATOM 628 O ALA A 54 -9.266 16.832 4.086 1.00 0.28 O ATOM 629 CB ALA A 54 -10.650 13.855 4.228 1.00 0.20 C ATOM 0 H ALA A 54 -9.768 13.107 2.099 1.00 0.18 H new ATOM 0 HA ALA A 54 -11.032 15.493 2.889 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -10.967 14.400 5.117 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.482 13.262 3.850 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.821 13.195 4.483 1.00 0.20 H new ATOM 635 N GLN A 55 -7.907 15.085 3.740 1.00 0.22 N ATOM 636 CA GLN A 55 -6.777 15.766 4.344 1.00 0.25 C ATOM 637 C GLN A 55 -5.797 16.298 3.305 1.00 0.25 C ATOM 638 O GLN A 55 -5.118 17.292 3.569 1.00 0.28 O ATOM 639 CB GLN A 55 -6.060 14.812 5.289 1.00 0.25 C ATOM 640 CG GLN A 55 -5.757 13.469 4.656 1.00 0.20 C ATOM 641 CD GLN A 55 -4.691 12.714 5.409 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.503 12.912 5.178 1.00 0.22 O ATOM 643 NE2 GLN A 55 -5.103 11.820 6.287 1.00 0.17 N ATOM 0 H GLN A 55 -7.708 14.158 3.365 1.00 0.22 H new ATOM 0 HA GLN A 55 -7.163 16.625 4.893 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -5.128 15.270 5.621 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.674 14.659 6.177 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.668 12.871 4.622 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.435 13.619 3.626 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -6.101 11.687 6.449 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.423 11.262 6.804 1.00 0.17 H new ATOM 652 N ALA A 56 -5.789 15.655 2.127 1.00 0.24 N ATOM 653 CA ALA A 56 -4.879 15.944 0.997 1.00 0.25 C ATOM 654 C ALA A 56 -3.909 17.111 1.209 1.00 0.31 C ATOM 655 O ALA A 56 -4.106 18.204 0.677 1.00 0.35 O ATOM 656 CB ALA A 56 -5.688 16.159 -0.266 1.00 0.26 C ATOM 0 H ALA A 56 -6.436 14.893 1.924 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.239 15.066 0.912 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -5.016 16.372 -1.097 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.264 15.260 -0.486 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.367 17.000 -0.124 1.00 0.26 H new ATOM 714 N GLY B 14 7.808 6.332 -11.463 1.00 0.21 N ATOM 715 CA GLY B 14 6.562 5.599 -11.584 1.00 0.21 C ATOM 716 C GLY B 14 6.752 4.136 -11.934 1.00 0.19 C ATOM 717 O GLY B 14 6.099 3.622 -12.842 1.00 0.28 O ATOM 0 HA2 GLY B 14 6.014 5.671 -10.644 1.00 0.21 H new ATOM 0 HA3 GLY B 14 5.945 6.070 -12.349 1.00 0.21 H new ATOM 721 N GLU B 15 7.651 3.458 -11.232 1.00 0.15 N ATOM 722 CA GLU B 15 7.814 2.025 -11.428 1.00 0.15 C ATOM 723 C GLU B 15 6.911 1.293 -10.449 1.00 0.14 C ATOM 724 O GLU B 15 7.265 1.117 -9.286 1.00 0.22 O ATOM 725 CB GLU B 15 9.266 1.585 -11.219 1.00 0.18 C ATOM 726 CG GLU B 15 10.292 2.607 -11.674 1.00 0.86 C ATOM 727 CD GLU B 15 11.713 2.114 -11.512 1.00 1.08 C ATOM 728 OE1 GLU B 15 12.132 1.230 -12.285 1.00 1.45 O ATOM 729 OE2 GLU B 15 12.425 2.621 -10.620 1.00 1.76 O ATOM 0 H GLU B 15 8.269 3.870 -10.533 1.00 0.15 H new ATOM 0 HA GLU B 15 7.542 1.783 -12.456 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.422 1.374 -10.161 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.433 0.652 -11.758 1.00 0.18 H new ATOM 0 HG2 GLU B 15 10.114 2.855 -12.720 1.00 0.86 H new ATOM 0 HG3 GLU B 15 10.162 3.526 -11.103 1.00 0.86 H new ATOM 736 N ILE B 16 5.744 0.880 -10.913 1.00 0.12 N ATOM 737 CA ILE B 16 4.756 0.271 -10.038 1.00 0.11 C ATOM 738 C ILE B 16 5.221 -1.086 -9.525 1.00 0.12 C ATOM 739 O ILE B 16 5.842 -1.866 -10.251 1.00 0.16 O ATOM 740 CB ILE B 16 3.393 0.106 -10.745 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.598 1.417 -10.696 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.606 -1.017 -10.088 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.834 1.618 -9.407 1.00 0.11 C ATOM 0 H ILE B 16 5.457 0.955 -11.889 1.00 0.12 H new ATOM 0 HA ILE B 16 4.636 0.948 -9.192 1.00 0.11 H new ATOM 0 HB ILE B 16 3.567 -0.147 -11.791 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.284 2.253 -10.835 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.897 1.438 -11.530 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.645 -1.130 -10.590 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.167 -1.948 -10.165 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.441 -0.779 -9.037 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.297 2.566 -9.446 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.123 0.803 -9.275 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.531 1.631 -8.569 1.00 0.11 H new ATOM 755 N PHE B 17 4.909 -1.346 -8.265 1.00 0.11 N ATOM 756 CA PHE B 17 5.230 -2.602 -7.621 1.00 0.11 C ATOM 757 C PHE B 17 4.057 -3.069 -6.768 1.00 0.11 C ATOM 758 O PHE B 17 3.465 -2.283 -6.034 1.00 0.11 O ATOM 759 CB PHE B 17 6.506 -2.441 -6.794 1.00 0.12 C ATOM 760 CG PHE B 17 6.556 -1.209 -5.924 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.084 -1.225 -4.617 1.00 1.09 C ATOM 762 CD2 PHE B 17 7.119 -0.042 -6.413 1.00 1.11 C ATOM 763 CE1 PHE B 17 6.178 -0.096 -3.818 1.00 1.10 C ATOM 764 CE2 PHE B 17 7.212 1.089 -5.629 1.00 1.11 C ATOM 765 CZ PHE B 17 6.747 1.067 -4.327 1.00 0.10 C ATOM 0 H PHE B 17 4.423 -0.684 -7.660 1.00 0.11 H new ATOM 0 HA PHE B 17 5.411 -3.368 -8.375 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.622 -3.320 -6.159 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.359 -2.423 -7.472 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.640 -2.126 -4.220 1.00 1.09 H new ATOM 0 HD2 PHE B 17 7.492 -0.017 -7.426 1.00 1.11 H new ATOM 0 HE1 PHE B 17 5.810 -0.119 -2.803 1.00 1.10 H new ATOM 0 HE2 PHE B 17 7.648 1.991 -6.032 1.00 1.11 H new ATOM 0 HZ PHE B 17 6.825 1.949 -3.708 1.00 0.10 H new ATOM 775 N TYR B 18 3.707 -4.344 -6.884 1.00 0.11 N ATOM 776 CA TYR B 18 2.549 -4.876 -6.186 1.00 0.10 C ATOM 777 C TYR B 18 2.969 -5.713 -4.995 1.00 0.09 C ATOM 778 O TYR B 18 3.933 -6.478 -5.063 1.00 0.09 O ATOM 779 CB TYR B 18 1.682 -5.716 -7.123 1.00 0.12 C ATOM 780 CG TYR B 18 1.002 -4.908 -8.202 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.123 -4.152 -7.914 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.484 -4.901 -9.500 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.757 -3.410 -8.890 1.00 1.15 C ATOM 784 CE2 TYR B 18 0.860 -4.161 -10.486 1.00 1.20 C ATOM 785 CZ TYR B 18 -0.261 -3.418 -10.178 1.00 0.12 C ATOM 786 OH TYR B 18 -0.886 -2.682 -11.161 1.00 0.18 O ATOM 0 H TYR B 18 4.209 -5.025 -7.454 1.00 0.11 H new ATOM 0 HA TYR B 18 1.964 -4.027 -5.831 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.302 -6.481 -7.590 1.00 0.12 H new ATOM 0 HB3 TYR B 18 0.924 -6.234 -6.536 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.511 -4.143 -6.906 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.360 -5.482 -9.745 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.634 -2.828 -8.648 1.00 1.15 H new ATOM 0 HE2 TYR B 18 1.248 -4.164 -11.494 1.00 1.20 H new ATOM 0 HH TYR B 18 -0.409 -2.797 -12.009 1.00 0.18 H new ATOM 796 N LEU B 19 2.237 -5.555 -3.905 1.00 0.13 N ATOM 797 CA LEU B 19 2.494 -6.294 -2.679 1.00 0.13 C ATOM 798 C LEU B 19 1.239 -7.081 -2.283 1.00 0.21 C ATOM 799 O LEU B 19 0.636 -6.828 -1.239 1.00 0.25 O ATOM 800 CB LEU B 19 2.902 -5.333 -1.541 1.00 0.12 C ATOM 801 CG LEU B 19 4.187 -4.487 -1.766 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.382 -5.398 -1.955 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.061 -3.529 -2.938 1.00 0.11 C ATOM 0 H LEU B 19 1.448 -4.911 -3.844 1.00 0.13 H new ATOM 0 HA LEU B 19 3.317 -6.988 -2.850 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.073 -4.650 -1.360 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.036 -5.920 -0.632 1.00 0.12 H new ATOM 0 HG LEU B 19 4.330 -3.876 -0.875 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.277 -4.796 -2.112 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.512 -6.017 -1.067 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.218 -6.038 -2.822 1.00 0.08 H new ATOM 0 HD21 LEU B 19 4.987 -2.965 -3.048 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.870 -4.094 -3.851 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.236 -2.840 -2.758 1.00 0.11 H new ATOM 815 N PRO B 20 0.824 -8.050 -3.125 1.00 0.23 N ATOM 816 CA PRO B 20 -0.431 -8.802 -2.935 1.00 0.29 C ATOM 817 C PRO B 20 -0.371 -9.794 -1.791 1.00 0.29 C ATOM 818 O PRO B 20 -1.375 -10.085 -1.144 1.00 0.33 O ATOM 819 CB PRO B 20 -0.561 -9.560 -4.255 1.00 0.33 C ATOM 820 CG PRO B 20 0.852 -9.782 -4.664 1.00 0.29 C ATOM 821 CD PRO B 20 1.536 -8.496 -4.339 1.00 0.23 C ATOM 0 HA PRO B 20 -1.262 -8.140 -2.690 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.095 -10.501 -4.127 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.109 -8.981 -4.999 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.296 -10.617 -4.122 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.927 -10.015 -5.726 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.601 -8.639 -4.155 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.447 -7.773 -5.150 1.00 0.23 H new ATOM 829 N ASN B 21 0.813 -10.301 -1.552 1.00 0.27 N ATOM 830 CA ASN B 21 0.998 -11.391 -0.627 1.00 0.28 C ATOM 831 C ASN B 21 1.285 -10.870 0.773 1.00 0.24 C ATOM 832 O ASN B 21 1.166 -11.598 1.761 1.00 0.28 O ATOM 833 CB ASN B 21 2.101 -12.309 -1.170 1.00 0.31 C ATOM 834 CG ASN B 21 3.050 -12.838 -0.124 1.00 0.32 C ATOM 835 OD1 ASN B 21 4.207 -12.218 -0.051 1.00 0.41 O flip ATOM 836 ND2 ASN B 21 2.764 -13.807 0.574 1.00 0.30 N flip ATOM 0 H ASN B 21 1.672 -9.971 -1.991 1.00 0.27 H new ATOM 0 HA ASN B 21 0.084 -11.978 -0.539 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.635 -13.153 -1.679 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.674 -11.762 -1.919 1.00 0.31 H new ATOM 0 HD21 ASN B 21 1.852 -14.253 0.479 1.00 0.30 H new ATOM 0 HD22 ASN B 21 3.439 -14.166 1.249 1.00 0.30 H new ATOM 843 N LEU B 22 1.631 -9.597 0.864 1.00 0.19 N ATOM 844 CA LEU B 22 1.822 -8.969 2.151 1.00 0.16 C ATOM 845 C LEU B 22 0.515 -8.556 2.764 1.00 0.20 C ATOM 846 O LEU B 22 -0.408 -8.107 2.086 1.00 0.26 O ATOM 847 CB LEU B 22 2.757 -7.781 2.049 1.00 0.14 C ATOM 848 CG LEU B 22 4.146 -8.178 1.598 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.144 -7.065 1.807 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.564 -9.429 2.330 1.00 0.14 C ATOM 0 H LEU B 22 1.784 -8.984 0.063 1.00 0.19 H new ATOM 0 HA LEU B 22 2.280 -9.711 2.805 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.344 -7.056 1.348 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.820 -7.287 3.019 1.00 0.14 H new ATOM 0 HG LEU B 22 4.122 -8.376 0.526 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.128 -7.391 1.470 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.837 -6.189 1.236 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.189 -6.810 2.866 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.564 -9.721 2.010 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.568 -9.239 3.403 1.00 0.14 H new ATOM 0 HD23 LEU B 22 3.863 -10.233 2.107 1.00 0.14 H new ATOM 862 N ASN B 23 0.457 -8.721 4.062 1.00 0.21 N ATOM 863 CA ASN B 23 -0.730 -8.393 4.818 1.00 0.26 C ATOM 864 C ASN B 23 -0.535 -7.018 5.414 1.00 0.20 C ATOM 865 O ASN B 23 0.600 -6.540 5.451 1.00 0.15 O ATOM 866 CB ASN B 23 -0.961 -9.450 5.904 1.00 0.35 C ATOM 867 CG ASN B 23 -0.560 -10.830 5.425 1.00 0.56 C ATOM 868 OD1 ASN B 23 0.666 -11.215 5.741 1.00 1.19 O flip ATOM 869 ND2 ASN B 23 -1.341 -11.543 4.792 1.00 0.55 N flip ATOM 0 H ASN B 23 1.227 -9.085 4.624 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.613 -8.386 4.178 1.00 0.26 H new ATOM 0 HB2 ASN B 23 -0.387 -9.191 6.794 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -2.012 -9.454 6.192 1.00 0.35 H new ATOM 0 HD21 ASN B 23 -2.277 -11.203 4.571 1.00 0.55 H new ATOM 0 HD22 ASN B 23 -1.051 -12.473 4.489 1.00 0.55 H new ATOM 876 N PRO B 24 -1.616 -6.350 5.841 1.00 0.25 N ATOM 877 CA PRO B 24 -1.546 -5.018 6.442 1.00 0.22 C ATOM 878 C PRO B 24 -0.344 -4.851 7.365 1.00 0.18 C ATOM 879 O PRO B 24 0.386 -3.869 7.272 1.00 0.19 O ATOM 880 CB PRO B 24 -2.843 -4.937 7.238 1.00 0.27 C ATOM 881 CG PRO B 24 -3.809 -5.782 6.480 1.00 0.33 C ATOM 882 CD PRO B 24 -3.006 -6.831 5.752 1.00 0.37 C ATOM 0 HA PRO B 24 -1.430 -4.236 5.692 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.707 -5.307 8.254 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.195 -3.908 7.317 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -4.527 -6.247 7.156 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.380 -5.177 5.776 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -3.118 -7.811 6.215 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.327 -6.930 4.715 1.00 0.37 H new ATOM 890 N ASP B 25 -0.106 -5.856 8.200 1.00 0.20 N ATOM 891 CA ASP B 25 0.934 -5.775 9.224 1.00 0.24 C ATOM 892 C ASP B 25 2.322 -5.895 8.605 1.00 0.23 C ATOM 893 O ASP B 25 3.278 -5.271 9.070 1.00 0.28 O ATOM 894 CB ASP B 25 0.737 -6.862 10.281 1.00 0.34 C ATOM 895 CG ASP B 25 1.775 -6.793 11.385 1.00 0.98 C ATOM 896 OD1 ASP B 25 2.839 -7.432 11.250 1.00 1.76 O ATOM 897 OD2 ASP B 25 1.528 -6.104 12.397 1.00 1.49 O ATOM 0 H ASP B 25 -0.618 -6.738 8.190 1.00 0.20 H new ATOM 0 HA ASP B 25 0.853 -4.799 9.703 1.00 0.24 H new ATOM 0 HB2 ASP B 25 -0.258 -6.766 10.716 1.00 0.34 H new ATOM 0 HB3 ASP B 25 0.783 -7.841 9.804 1.00 0.34 H new ATOM 902 N GLN B 26 2.423 -6.683 7.544 1.00 0.19 N ATOM 903 CA GLN B 26 3.671 -6.855 6.831 1.00 0.20 C ATOM 904 C GLN B 26 4.075 -5.530 6.200 1.00 0.20 C ATOM 905 O GLN B 26 5.204 -5.063 6.336 1.00 0.24 O ATOM 906 CB GLN B 26 3.465 -7.928 5.760 1.00 0.25 C ATOM 907 CG GLN B 26 2.870 -9.213 6.317 1.00 0.31 C ATOM 908 CD GLN B 26 3.739 -9.882 7.366 1.00 0.29 C ATOM 909 OE1 GLN B 26 5.037 -9.797 7.184 1.00 0.48 O flip ATOM 910 NE2 GLN B 26 3.238 -10.494 8.304 1.00 0.28 N flip ATOM 0 H GLN B 26 1.644 -7.217 7.158 1.00 0.19 H new ATOM 0 HA GLN B 26 4.466 -7.168 7.507 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.809 -7.537 4.982 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.422 -8.151 5.288 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.895 -8.993 6.752 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.703 -9.911 5.497 1.00 0.31 H new ATOM 0 HE21 GLN B 26 2.224 -10.532 8.404 1.00 0.28 H new ATOM 0 HE22 GLN B 26 3.836 -10.964 8.984 1.00 0.28 H new ATOM 919 N LEU B 27 3.111 -4.941 5.524 1.00 0.16 N ATOM 920 CA LEU B 27 3.249 -3.631 4.898 1.00 0.17 C ATOM 921 C LEU B 27 3.493 -2.516 5.929 1.00 0.19 C ATOM 922 O LEU B 27 4.130 -1.514 5.610 1.00 0.21 O ATOM 923 CB LEU B 27 1.980 -3.329 4.097 1.00 0.16 C ATOM 924 CG LEU B 27 1.606 -4.384 3.049 1.00 0.14 C ATOM 925 CD1 LEU B 27 0.109 -4.357 2.779 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.370 -4.152 1.753 1.00 0.13 C ATOM 0 H LEU B 27 2.192 -5.361 5.388 1.00 0.16 H new ATOM 0 HA LEU B 27 4.119 -3.658 4.242 1.00 0.17 H new ATOM 0 HB2 LEU B 27 1.148 -3.219 4.792 1.00 0.16 H new ATOM 0 HB3 LEU B 27 2.105 -2.369 3.595 1.00 0.16 H new ATOM 0 HG LEU B 27 1.878 -5.363 3.443 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.140 -5.112 2.033 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.431 -4.567 3.702 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.176 -3.372 2.408 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.089 -4.912 1.024 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.128 -3.165 1.360 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.441 -4.213 1.946 1.00 0.13 H new ATOM 938 N CYS B 28 2.990 -2.694 7.159 1.00 0.20 N ATOM 939 CA CYS B 28 3.100 -1.668 8.214 1.00 0.23 C ATOM 940 C CYS B 28 4.532 -1.166 8.388 1.00 0.23 C ATOM 941 O CYS B 28 4.773 0.042 8.461 1.00 0.28 O ATOM 942 CB CYS B 28 2.592 -2.201 9.560 1.00 0.25 C ATOM 943 SG CYS B 28 0.779 -2.318 9.700 1.00 0.27 S ATOM 0 H CYS B 28 2.501 -3.540 7.451 1.00 0.20 H new ATOM 0 HA CYS B 28 2.478 -0.833 7.891 1.00 0.23 H new ATOM 0 HB2 CYS B 28 3.020 -3.189 9.728 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.963 -1.553 10.355 1.00 0.25 H new ATOM 948 N ALA B 29 5.479 -2.094 8.443 1.00 0.22 N ATOM 949 CA ALA B 29 6.877 -1.749 8.655 1.00 0.24 C ATOM 950 C ALA B 29 7.423 -0.929 7.499 1.00 0.21 C ATOM 951 O ALA B 29 8.220 -0.010 7.693 1.00 0.25 O ATOM 952 CB ALA B 29 7.703 -3.003 8.815 1.00 0.26 C ATOM 0 H ALA B 29 5.303 -3.094 8.343 1.00 0.22 H new ATOM 0 HA ALA B 29 6.938 -1.150 9.564 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.747 -2.733 8.973 1.00 0.26 H new ATOM 0 HB2 ALA B 29 7.341 -3.570 9.673 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.618 -3.612 7.915 1.00 0.26 H new ATOM 958 N PHE B 30 6.986 -1.279 6.298 1.00 0.18 N ATOM 959 CA PHE B 30 7.428 -0.606 5.094 1.00 0.17 C ATOM 960 C PHE B 30 7.144 0.890 5.169 1.00 0.21 C ATOM 961 O PHE B 30 8.075 1.682 5.139 1.00 0.22 O ATOM 962 CB PHE B 30 6.710 -1.224 3.892 1.00 0.18 C ATOM 963 CG PHE B 30 7.131 -0.668 2.567 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.470 -0.570 2.247 1.00 1.13 C ATOM 965 CD2 PHE B 30 6.189 -0.264 1.636 1.00 1.07 C ATOM 966 CE1 PHE B 30 8.864 -0.079 1.025 1.00 1.13 C ATOM 967 CE2 PHE B 30 6.583 0.231 0.409 1.00 1.07 C ATOM 968 CZ PHE B 30 7.927 0.322 0.106 1.00 0.13 C ATOM 0 H PHE B 30 6.319 -2.033 6.135 1.00 0.18 H new ATOM 0 HA PHE B 30 8.505 -0.733 4.987 1.00 0.17 H new ATOM 0 HB2 PHE B 30 6.885 -2.300 3.893 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.637 -1.076 4.010 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.215 -0.882 2.964 1.00 1.13 H new ATOM 0 HD2 PHE B 30 5.138 -0.337 1.872 1.00 1.07 H new ATOM 0 HE1 PHE B 30 9.915 -0.009 0.787 1.00 1.13 H new ATOM 0 HE2 PHE B 30 5.843 0.546 -0.311 1.00 1.07 H new ATOM 0 HZ PHE B 30 8.240 0.708 -0.853 1.00 0.13 H new ATOM 978 N PHE B 31 5.879 1.271 5.365 1.00 0.26 N ATOM 979 CA PHE B 31 5.526 2.679 5.521 1.00 0.35 C ATOM 980 C PHE B 31 6.362 3.313 6.614 1.00 0.37 C ATOM 981 O PHE B 31 6.814 4.438 6.484 1.00 0.46 O ATOM 982 CB PHE B 31 4.074 2.907 5.956 1.00 0.65 C ATOM 983 CG PHE B 31 3.003 2.076 5.323 1.00 0.23 C ATOM 984 CD1 PHE B 31 2.481 2.399 4.087 1.00 1.13 C ATOM 985 CD2 PHE B 31 2.466 1.010 6.016 1.00 1.16 C ATOM 986 CE1 PHE B 31 1.444 1.666 3.552 1.00 1.45 C ATOM 987 CE2 PHE B 31 1.436 0.265 5.484 1.00 1.05 C ATOM 988 CZ PHE B 31 0.921 0.594 4.252 1.00 0.80 C ATOM 0 H PHE B 31 5.089 0.627 5.419 1.00 0.26 H new ATOM 0 HA PHE B 31 5.695 3.114 4.536 1.00 0.35 H new ATOM 0 HB2 PHE B 31 4.022 2.751 7.034 1.00 0.65 H new ATOM 0 HB3 PHE B 31 3.833 3.954 5.773 1.00 0.65 H new ATOM 0 HD1 PHE B 31 2.888 3.233 3.535 1.00 1.13 H new ATOM 0 HD2 PHE B 31 2.859 0.756 6.989 1.00 1.16 H new ATOM 0 HE1 PHE B 31 1.040 1.929 2.586 1.00 1.45 H new ATOM 0 HE2 PHE B 31 1.035 -0.574 6.033 1.00 1.05 H new ATOM 0 HZ PHE B 31 0.110 0.017 3.832 1.00 0.80 H new ATOM 998 N HIS B 32 6.527 2.589 7.712 1.00 0.36 N ATOM 999 CA HIS B 32 7.188 3.131 8.886 1.00 0.43 C ATOM 1000 C HIS B 32 8.621 3.519 8.561 1.00 0.40 C ATOM 1001 O HIS B 32 9.078 4.587 8.947 1.00 0.47 O ATOM 1002 CB HIS B 32 7.141 2.121 10.041 1.00 0.47 C ATOM 1003 CG HIS B 32 7.461 2.712 11.386 1.00 0.71 C ATOM 1004 ND1 HIS B 32 6.527 2.826 12.394 1.00 1.37 N ATOM 1005 CD2 HIS B 32 8.614 3.216 11.889 1.00 1.43 C ATOM 1006 CE1 HIS B 32 7.090 3.373 13.454 1.00 1.77 C ATOM 1007 NE2 HIS B 32 8.355 3.620 13.175 1.00 1.70 N ATOM 0 H HIS B 32 6.211 1.624 7.812 1.00 0.36 H new ATOM 0 HA HIS B 32 6.658 4.031 9.199 1.00 0.43 H new ATOM 0 HB2 HIS B 32 6.147 1.675 10.079 1.00 0.47 H new ATOM 0 HB3 HIS B 32 7.845 1.315 9.833 1.00 0.47 H new ATOM 0 HD2 HIS B 32 9.561 3.287 11.374 1.00 1.43 H new ATOM 0 HE1 HIS B 32 6.598 3.583 14.392 1.00 1.77 H new ATOM 0 HE2 HIS B 32 9.031 4.043 13.811 1.00 1.70 H new ATOM 1016 N SER B 33 9.320 2.666 7.836 1.00 0.33 N ATOM 1017 CA SER B 33 10.674 2.983 7.405 1.00 0.33 C ATOM 1018 C SER B 33 10.649 4.048 6.311 1.00 0.28 C ATOM 1019 O SER B 33 11.518 4.905 6.239 1.00 0.30 O ATOM 1020 CB SER B 33 11.378 1.721 6.910 1.00 0.33 C ATOM 1021 OG SER B 33 11.480 0.758 7.947 1.00 0.77 O ATOM 0 H SER B 33 8.978 1.754 7.533 1.00 0.33 H new ATOM 0 HA SER B 33 11.229 3.379 8.256 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.828 1.299 6.069 1.00 0.33 H new ATOM 0 HB3 SER B 33 12.373 1.975 6.545 1.00 0.33 H new ATOM 0 HG SER B 33 11.932 -0.042 7.607 1.00 0.77 H new ATOM 1027 N VAL B 34 9.626 3.974 5.484 1.00 0.22 N ATOM 1028 CA VAL B 34 9.484 4.802 4.295 1.00 0.20 C ATOM 1029 C VAL B 34 9.103 6.242 4.649 1.00 0.26 C ATOM 1030 O VAL B 34 9.649 7.191 4.090 1.00 0.27 O ATOM 1031 CB VAL B 34 8.413 4.191 3.353 1.00 0.19 C ATOM 1032 CG1 VAL B 34 8.023 5.132 2.241 1.00 0.18 C ATOM 1033 CG2 VAL B 34 8.888 2.890 2.745 1.00 0.20 C ATOM 0 H VAL B 34 8.852 3.324 5.619 1.00 0.22 H new ATOM 0 HA VAL B 34 10.449 4.827 3.789 1.00 0.20 H new ATOM 0 HB VAL B 34 7.539 4.006 3.977 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.271 4.658 1.610 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.614 6.048 2.666 1.00 0.18 H new ATOM 0 HG13 VAL B 34 8.902 5.371 1.642 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.113 2.490 2.091 1.00 0.20 H new ATOM 0 HG22 VAL B 34 9.795 3.068 2.167 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.099 2.173 3.539 1.00 0.20 H new ATOM 1043 N HIS B 35 8.167 6.403 5.577 1.00 0.32 N ATOM 1044 CA HIS B 35 7.704 7.728 5.958 1.00 0.41 C ATOM 1045 C HIS B 35 8.679 8.345 6.944 1.00 0.45 C ATOM 1046 O HIS B 35 8.917 9.552 6.928 1.00 0.51 O ATOM 1047 CB HIS B 35 6.304 7.653 6.570 1.00 0.48 C ATOM 1048 CG HIS B 35 5.619 8.982 6.696 1.00 0.66 C ATOM 1049 ND1 HIS B 35 4.698 9.436 5.779 1.00 1.60 N ATOM 1050 CD2 HIS B 35 5.698 9.939 7.649 1.00 0.88 C ATOM 1051 CE1 HIS B 35 4.241 10.612 6.164 1.00 1.50 C ATOM 1052 NE2 HIS B 35 4.828 10.942 7.297 1.00 0.80 N ATOM 0 H HIS B 35 7.717 5.636 6.076 1.00 0.32 H new ATOM 0 HA HIS B 35 7.652 8.354 5.067 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.687 6.995 5.959 1.00 0.48 H new ATOM 0 HB3 HIS B 35 6.375 7.198 7.558 1.00 0.48 H new ATOM 0 HD2 HIS B 35 6.329 9.918 8.525 1.00 0.88 H new ATOM 0 HE1 HIS B 35 3.508 11.206 5.638 1.00 1.50 H new ATOM 0 HE2 HIS B 35 4.664 11.799 7.825 1.00 0.80 H new ATOM 1061 N ASP B 36 9.243 7.506 7.801 1.00 0.44 N ATOM 1062 CA ASP B 36 10.259 7.959 8.736 1.00 0.50 C ATOM 1063 C ASP B 36 11.551 8.247 7.994 1.00 0.47 C ATOM 1064 O ASP B 36 12.265 9.194 8.326 1.00 0.52 O ATOM 1065 CB ASP B 36 10.505 6.926 9.837 1.00 0.55 C ATOM 1066 CG ASP B 36 11.584 7.357 10.811 1.00 0.79 C ATOM 1067 OD1 ASP B 36 11.317 8.253 11.642 1.00 1.59 O ATOM 1068 OD2 ASP B 36 12.700 6.798 10.756 1.00 1.29 O ATOM 0 H ASP B 36 9.015 6.514 7.867 1.00 0.44 H new ATOM 0 HA ASP B 36 9.900 8.873 9.209 1.00 0.50 H new ATOM 0 HB2 ASP B 36 9.577 6.753 10.382 1.00 0.55 H new ATOM 0 HB3 ASP B 36 10.789 5.977 9.383 1.00 0.55 H new ATOM 1073 N ASP B 37 11.860 7.445 6.978 1.00 0.39 N ATOM 1074 CA ASP B 37 13.071 7.698 6.203 1.00 0.40 C ATOM 1075 C ASP B 37 12.836 7.534 4.706 1.00 0.32 C ATOM 1076 O ASP B 37 13.132 6.491 4.124 1.00 0.29 O ATOM 1077 CB ASP B 37 14.203 6.786 6.663 1.00 0.48 C ATOM 1078 CG ASP B 37 15.548 7.464 6.545 1.00 1.00 C ATOM 1079 OD1 ASP B 37 16.057 7.607 5.418 1.00 1.58 O ATOM 1080 OD2 ASP B 37 16.093 7.881 7.590 1.00 1.55 O ATOM 0 H ASP B 37 11.309 6.640 6.679 1.00 0.39 H new ATOM 0 HA ASP B 37 13.356 8.735 6.380 1.00 0.40 H new ATOM 0 HB2 ASP B 37 14.034 6.490 7.698 1.00 0.48 H new ATOM 0 HB3 ASP B 37 14.201 5.874 6.066 1.00 0.48 H new ATOM 1085 N PRO B 38 12.309 8.587 4.060 1.00 0.34 N ATOM 1086 CA PRO B 38 12.098 8.618 2.604 1.00 0.31 C ATOM 1087 C PRO B 38 13.400 8.469 1.823 1.00 0.30 C ATOM 1088 O PRO B 38 13.393 8.150 0.630 1.00 0.36 O ATOM 1089 CB PRO B 38 11.500 10.009 2.359 1.00 0.42 C ATOM 1090 CG PRO B 38 11.862 10.801 3.568 1.00 0.49 C ATOM 1091 CD PRO B 38 11.848 9.829 4.701 1.00 0.46 C ATOM 0 HA PRO B 38 11.464 7.795 2.272 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.908 10.460 1.454 1.00 0.42 H new ATOM 0 HB3 PRO B 38 10.419 9.957 2.230 1.00 0.42 H new ATOM 0 HG2 PRO B 38 12.844 11.260 3.457 1.00 0.49 H new ATOM 0 HG3 PRO B 38 11.150 11.609 3.735 1.00 0.49 H new ATOM 0 HD2 PRO B 38 12.510 10.139 5.510 1.00 0.46 H new ATOM 0 HD3 PRO B 38 10.852 9.719 5.129 1.00 0.46 H new ATOM 1099 N SER B 39 14.515 8.682 2.512 1.00 0.29 N ATOM 1100 CA SER B 39 15.832 8.633 1.901 1.00 0.31 C ATOM 1101 C SER B 39 16.178 7.230 1.420 1.00 0.26 C ATOM 1102 O SER B 39 17.107 7.044 0.633 1.00 0.31 O ATOM 1103 CB SER B 39 16.876 9.127 2.897 1.00 0.39 C ATOM 1104 OG SER B 39 16.514 10.398 3.415 1.00 1.45 O ATOM 0 H SER B 39 14.528 8.893 3.510 1.00 0.29 H new ATOM 0 HA SER B 39 15.826 9.283 1.026 1.00 0.31 H new ATOM 0 HB2 SER B 39 16.975 8.411 3.713 1.00 0.39 H new ATOM 0 HB3 SER B 39 17.849 9.191 2.410 1.00 0.39 H new ATOM 0 HG SER B 39 17.195 10.697 4.053 1.00 1.45 H new ATOM 1110 N GLN B 40 15.432 6.243 1.890 1.00 0.21 N ATOM 1111 CA GLN B 40 15.682 4.871 1.494 1.00 0.19 C ATOM 1112 C GLN B 40 14.462 4.171 0.952 1.00 0.15 C ATOM 1113 O GLN B 40 14.440 2.955 0.927 1.00 0.14 O ATOM 1114 CB GLN B 40 16.198 4.055 2.650 1.00 0.22 C ATOM 1115 CG GLN B 40 15.826 4.598 4.006 1.00 0.25 C ATOM 1116 CD GLN B 40 16.943 4.417 4.991 1.00 0.32 C ATOM 1117 OE1 GLN B 40 17.021 3.417 5.706 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.835 5.380 4.991 1.00 0.35 N ATOM 0 H GLN B 40 14.656 6.366 2.540 1.00 0.21 H new ATOM 0 HA GLN B 40 16.426 4.941 0.701 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.816 3.038 2.561 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.284 3.995 2.581 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.581 5.657 3.921 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.932 4.092 4.370 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.717 6.185 4.376 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.647 5.323 5.606 1.00 0.35 H new ATOM 1127 N SER B 41 13.446 4.915 0.562 1.00 0.15 N ATOM 1128 CA SER B 41 12.224 4.328 -0.001 1.00 0.14 C ATOM 1129 C SER B 41 12.520 3.205 -1.015 1.00 0.11 C ATOM 1130 O SER B 41 11.721 2.290 -1.167 1.00 0.10 O ATOM 1131 CB SER B 41 11.348 5.412 -0.636 1.00 0.16 C ATOM 1132 OG SER B 41 12.073 6.161 -1.602 1.00 0.75 O ATOM 0 H SER B 41 13.433 5.933 0.621 1.00 0.15 H new ATOM 0 HA SER B 41 11.680 3.872 0.827 1.00 0.14 H new ATOM 0 HB2 SER B 41 10.480 4.951 -1.107 1.00 0.16 H new ATOM 0 HB3 SER B 41 10.973 6.080 0.139 1.00 0.16 H new ATOM 0 HG SER B 41 11.583 6.983 -1.813 1.00 0.75 H new ATOM 1138 N ALA B 42 13.666 3.268 -1.698 1.00 0.09 N ATOM 1139 CA ALA B 42 14.074 2.191 -2.603 1.00 0.08 C ATOM 1140 C ALA B 42 14.648 0.987 -1.849 1.00 0.10 C ATOM 1141 O ALA B 42 14.315 -0.156 -2.150 1.00 0.10 O ATOM 1142 CB ALA B 42 15.068 2.690 -3.624 1.00 0.09 C ATOM 0 H ALA B 42 14.323 4.046 -1.642 1.00 0.09 H new ATOM 0 HA ALA B 42 13.174 1.857 -3.120 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.355 1.871 -4.283 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.616 3.488 -4.212 1.00 0.09 H new ATOM 0 HB3 ALA B 42 15.953 3.072 -3.114 1.00 0.09 H new ATOM 1148 N ASN B 43 15.516 1.241 -0.874 1.00 0.12 N ATOM 1149 CA ASN B 43 16.048 0.166 -0.032 1.00 0.14 C ATOM 1150 C ASN B 43 14.920 -0.425 0.797 1.00 0.14 C ATOM 1151 O ASN B 43 14.881 -1.618 1.078 1.00 0.15 O ATOM 1152 CB ASN B 43 17.162 0.675 0.889 1.00 0.18 C ATOM 1153 CG ASN B 43 18.490 0.818 0.189 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.272 -0.130 0.112 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.764 2.010 -0.310 1.00 0.33 N ATOM 0 H ASN B 43 15.865 2.172 -0.646 1.00 0.12 H new ATOM 0 HA ASN B 43 16.476 -0.600 -0.679 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.870 1.640 1.303 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.273 -0.011 1.729 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.653 2.173 -0.782 1.00 0.33 H new ATOM 0 HD22 ASN B 43 18.086 2.767 -0.223 1.00 0.33 H new ATOM 1162 N LEU B 44 14.019 0.450 1.190 1.00 0.13 N ATOM 1163 CA LEU B 44 12.786 0.076 1.863 1.00 0.13 C ATOM 1164 C LEU B 44 11.913 -0.739 0.923 1.00 0.11 C ATOM 1165 O LEU B 44 11.326 -1.745 1.322 1.00 0.11 O ATOM 1166 CB LEU B 44 12.029 1.323 2.313 1.00 0.14 C ATOM 1167 CG LEU B 44 12.477 1.958 3.636 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.818 1.430 4.111 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.563 3.449 3.474 1.00 0.17 C ATOM 0 H LEU B 44 14.120 1.455 1.051 1.00 0.13 H new ATOM 0 HA LEU B 44 13.033 -0.523 2.739 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.114 2.075 1.528 1.00 0.14 H new ATOM 0 HB3 LEU B 44 10.973 1.068 2.398 1.00 0.14 H new ATOM 0 HG LEU B 44 11.734 1.694 4.388 1.00 0.17 H new ATOM 0 HD11 LEU B 44 14.087 1.913 5.051 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.752 0.353 4.262 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.580 1.645 3.362 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.881 3.899 4.414 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.285 3.689 2.694 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.585 3.842 3.196 1.00 0.17 H new ATOM 1181 N LEU B 45 11.850 -0.291 -0.336 1.00 0.10 N ATOM 1182 CA LEU B 45 11.119 -0.988 -1.392 1.00 0.09 C ATOM 1183 C LEU B 45 11.578 -2.422 -1.414 1.00 0.08 C ATOM 1184 O LEU B 45 10.782 -3.356 -1.386 1.00 0.08 O ATOM 1185 CB LEU B 45 11.413 -0.358 -2.770 1.00 0.09 C ATOM 1186 CG LEU B 45 10.200 -0.204 -3.693 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.582 -0.409 -5.158 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.107 -1.170 -3.289 1.00 0.10 C ATOM 0 H LEU B 45 12.306 0.566 -0.648 1.00 0.10 H new ATOM 0 HA LEU B 45 10.050 -0.916 -1.194 1.00 0.09 H new ATOM 0 HB2 LEU B 45 11.857 0.625 -2.614 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.160 -0.968 -3.278 1.00 0.09 H new ATOM 0 HG LEU B 45 9.827 0.815 -3.589 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.698 -0.293 -5.784 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.330 0.330 -5.446 1.00 0.13 H new ATOM 0 HD13 LEU B 45 10.991 -1.411 -5.291 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.251 -1.050 -3.953 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.480 -2.192 -3.359 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.801 -0.965 -2.263 1.00 0.10 H new ATOM 1200 N ALA B 46 12.884 -2.559 -1.417 1.00 0.09 N ATOM 1201 CA ALA B 46 13.545 -3.833 -1.404 1.00 0.11 C ATOM 1202 C ALA B 46 13.020 -4.722 -0.306 1.00 0.11 C ATOM 1203 O ALA B 46 12.830 -5.904 -0.520 1.00 0.13 O ATOM 1204 CB ALA B 46 15.024 -3.607 -1.210 1.00 0.13 C ATOM 0 H ALA B 46 13.526 -1.767 -1.429 1.00 0.09 H new ATOM 0 HA ALA B 46 13.353 -4.334 -2.353 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.540 -4.567 -1.198 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.409 -2.998 -2.028 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.192 -3.093 -0.264 1.00 0.13 H new ATOM 1210 N GLU B 47 12.777 -4.139 0.856 1.00 0.11 N ATOM 1211 CA GLU B 47 12.379 -4.902 2.027 1.00 0.12 C ATOM 1212 C GLU B 47 10.935 -5.373 1.931 1.00 0.10 C ATOM 1213 O GLU B 47 10.610 -6.474 2.358 1.00 0.11 O ATOM 1214 CB GLU B 47 12.561 -4.080 3.293 1.00 0.16 C ATOM 1215 CG GLU B 47 13.936 -3.467 3.412 1.00 0.20 C ATOM 1216 CD GLU B 47 14.248 -3.030 4.824 1.00 0.71 C ATOM 1217 OE1 GLU B 47 14.670 -3.881 5.636 1.00 1.43 O ATOM 1218 OE2 GLU B 47 14.061 -1.834 5.135 1.00 1.20 O ATOM 0 H GLU B 47 12.849 -3.134 1.014 1.00 0.11 H new ATOM 0 HA GLU B 47 13.024 -5.780 2.069 1.00 0.12 H new ATOM 0 HB2 GLU B 47 11.814 -3.287 3.314 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.377 -4.714 4.160 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.683 -4.190 3.084 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.008 -2.609 2.744 1.00 0.20 H new ATOM 1225 N ALA B 48 10.071 -4.540 1.377 1.00 0.07 N ATOM 1226 CA ALA B 48 8.663 -4.895 1.242 1.00 0.07 C ATOM 1227 C ALA B 48 8.530 -5.930 0.160 1.00 0.08 C ATOM 1228 O ALA B 48 7.769 -6.880 0.271 1.00 0.09 O ATOM 1229 CB ALA B 48 7.796 -3.688 0.934 1.00 0.09 C ATOM 0 H ALA B 48 10.314 -3.618 1.015 1.00 0.07 H new ATOM 0 HA ALA B 48 8.313 -5.296 2.193 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.756 -4.001 0.842 1.00 0.09 H new ATOM 0 HB2 ALA B 48 7.886 -2.960 1.740 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.122 -3.235 -0.002 1.00 0.09 H new ATOM 1235 N LYS B 49 9.316 -5.746 -0.879 1.00 0.09 N ATOM 1236 CA LYS B 49 9.351 -6.673 -1.978 1.00 0.12 C ATOM 1237 C LYS B 49 10.081 -7.931 -1.538 1.00 0.15 C ATOM 1238 O LYS B 49 9.826 -9.017 -2.036 1.00 0.19 O ATOM 1239 CB LYS B 49 10.024 -5.997 -3.158 1.00 0.11 C ATOM 1240 CG LYS B 49 9.312 -4.723 -3.568 1.00 0.11 C ATOM 1241 CD LYS B 49 9.939 -4.063 -4.777 1.00 0.12 C ATOM 1242 CE LYS B 49 11.409 -3.752 -4.570 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.129 -3.549 -5.855 1.00 0.20 N ATOM 0 H LYS B 49 9.946 -4.950 -0.981 1.00 0.09 H new ATOM 0 HA LYS B 49 8.347 -6.966 -2.286 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.058 -5.767 -2.902 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.050 -6.685 -4.003 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.268 -4.949 -3.784 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.320 -4.023 -2.733 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.827 -4.716 -5.643 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.404 -3.141 -5.002 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.506 -2.856 -3.956 1.00 0.11 H new ATOM 0 HE3 LYS B 49 11.877 -4.568 -4.019 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 12.973 -2.964 -5.691 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.416 -4.471 -6.241 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.502 -3.070 -6.532 1.00 0.20 H new ATOM 1257 N LYS B 50 10.995 -7.752 -0.592 1.00 0.15 N ATOM 1258 CA LYS B 50 11.672 -8.853 0.080 1.00 0.18 C ATOM 1259 C LYS B 50 10.698 -9.653 0.921 1.00 0.20 C ATOM 1260 O LYS B 50 10.714 -10.871 0.918 1.00 0.26 O ATOM 1261 CB LYS B 50 12.753 -8.278 0.982 1.00 0.19 C ATOM 1262 CG LYS B 50 13.114 -9.154 2.175 1.00 0.24 C ATOM 1263 CD LYS B 50 14.117 -8.478 3.095 1.00 0.33 C ATOM 1264 CE LYS B 50 15.472 -8.311 2.429 1.00 1.07 C ATOM 1265 NZ LYS B 50 16.104 -9.621 2.116 1.00 1.88 N ATOM 0 H LYS B 50 11.289 -6.831 -0.267 1.00 0.15 H new ATOM 0 HA LYS B 50 12.105 -9.515 -0.670 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.651 -8.107 0.388 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.423 -7.306 1.348 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.211 -9.392 2.736 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.527 -10.098 1.820 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.736 -7.501 3.393 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.230 -9.067 4.005 1.00 0.33 H new ATOM 0 HE2 LYS B 50 15.356 -7.736 1.511 1.00 1.07 H new ATOM 0 HE3 LYS B 50 16.129 -7.738 3.083 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 17.112 -9.478 1.903 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 16.009 -10.256 2.934 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 15.633 -10.045 1.292 1.00 1.88 H new ATOM 1279 N LEU B 51 9.877 -8.938 1.660 1.00 0.17 N ATOM 1280 CA LEU B 51 8.877 -9.529 2.522 1.00 0.17 C ATOM 1281 C LEU B 51 7.801 -10.188 1.688 1.00 0.18 C ATOM 1282 O LEU B 51 7.329 -11.288 1.987 1.00 0.20 O ATOM 1283 CB LEU B 51 8.270 -8.436 3.393 1.00 0.14 C ATOM 1284 CG LEU B 51 7.206 -8.895 4.371 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.745 -10.018 5.234 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.725 -7.716 5.204 1.00 0.13 C ATOM 0 H LEU B 51 9.886 -7.918 1.679 1.00 0.17 H new ATOM 0 HA LEU B 51 9.337 -10.288 3.155 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.072 -7.956 3.954 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.837 -7.676 2.743 1.00 0.14 H new ATOM 0 HG LEU B 51 6.347 -9.285 3.824 1.00 0.12 H new ATOM 0 HD11 LEU B 51 6.974 -10.341 5.933 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.035 -10.856 4.601 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.614 -9.665 5.789 1.00 0.14 H new ATOM 0 HD21 LEU B 51 5.961 -8.053 5.904 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.564 -7.295 5.758 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.305 -6.954 4.548 1.00 0.13 H new ATOM 1298 N ASN B 52 7.416 -9.491 0.639 1.00 0.18 N ATOM 1299 CA ASN B 52 6.467 -10.012 -0.326 1.00 0.26 C ATOM 1300 C ASN B 52 7.085 -11.181 -1.062 1.00 0.37 C ATOM 1301 O ASN B 52 6.391 -11.997 -1.631 1.00 0.63 O ATOM 1302 CB ASN B 52 6.038 -8.929 -1.311 1.00 0.40 C ATOM 1303 CG ASN B 52 4.629 -9.148 -1.826 1.00 0.79 C ATOM 1304 OD1 ASN B 52 3.657 -8.709 -1.224 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.499 -9.841 -2.930 1.00 0.29 N ATOM 0 H ASN B 52 7.750 -8.550 0.431 1.00 0.18 H new ATOM 0 HA ASN B 52 5.577 -10.350 0.205 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.098 -7.955 -0.826 1.00 0.40 H new ATOM 0 HB3 ASN B 52 6.731 -8.910 -2.152 1.00 0.40 H new ATOM 0 HD21 ASN B 52 3.570 -10.027 -3.309 1.00 0.29 H new ATOM 0 HD22 ASN B 52 5.326 -10.194 -3.411 1.00 0.29 H new ATOM 1312 N ASP B 53 8.402 -11.212 -1.075 1.00 0.31 N ATOM 1313 CA ASP B 53 9.155 -12.337 -1.605 1.00 0.37 C ATOM 1314 C ASP B 53 9.261 -13.448 -0.562 1.00 0.38 C ATOM 1315 O ASP B 53 9.223 -14.632 -0.890 1.00 0.47 O ATOM 1316 CB ASP B 53 10.555 -11.875 -2.033 1.00 0.38 C ATOM 1317 CG ASP B 53 11.452 -13.019 -2.446 1.00 0.93 C ATOM 1318 OD1 ASP B 53 11.355 -13.466 -3.608 1.00 1.71 O ATOM 1319 OD2 ASP B 53 12.270 -13.465 -1.619 1.00 1.59 O ATOM 0 H ASP B 53 8.985 -10.456 -0.717 1.00 0.31 H new ATOM 0 HA ASP B 53 8.630 -12.731 -2.475 1.00 0.37 H new ATOM 0 HB2 ASP B 53 10.463 -11.175 -2.863 1.00 0.38 H new ATOM 0 HB3 ASP B 53 11.021 -11.334 -1.209 1.00 0.38 H new ATOM 1324 N ALA B 54 9.361 -13.045 0.702 1.00 0.30 N ATOM 1325 CA ALA B 54 9.669 -13.961 1.795 1.00 0.30 C ATOM 1326 C ALA B 54 8.537 -14.925 2.071 1.00 0.27 C ATOM 1327 O ALA B 54 8.745 -16.127 2.239 1.00 0.32 O ATOM 1328 CB ALA B 54 9.939 -13.161 3.052 1.00 0.27 C ATOM 0 H ALA B 54 9.231 -12.077 0.996 1.00 0.30 H new ATOM 0 HA ALA B 54 10.543 -14.541 1.500 1.00 0.30 H new ATOM 0 HB1 ALA B 54 10.170 -13.840 3.873 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.785 -12.494 2.884 1.00 0.27 H new ATOM 0 HB3 ALA B 54 9.057 -12.572 3.305 1.00 0.27 H new ATOM 1334 N GLN B 55 7.338 -14.384 2.098 1.00 0.23 N ATOM 1335 CA GLN B 55 6.170 -15.139 2.500 1.00 0.23 C ATOM 1336 C GLN B 55 5.389 -15.593 1.282 1.00 0.27 C ATOM 1337 O GLN B 55 4.455 -16.388 1.382 1.00 0.34 O ATOM 1338 CB GLN B 55 5.293 -14.269 3.372 1.00 0.21 C ATOM 1339 CG GLN B 55 6.036 -13.633 4.517 1.00 0.18 C ATOM 1340 CD GLN B 55 5.163 -12.651 5.243 1.00 0.20 C ATOM 1341 OE1 GLN B 55 5.020 -11.482 4.657 1.00 0.27 O flip ATOM 1342 NE2 GLN B 55 4.564 -12.963 6.271 1.00 0.19 N flip ATOM 0 H GLN B 55 7.145 -13.415 1.844 1.00 0.23 H new ATOM 0 HA GLN B 55 6.488 -16.020 3.057 1.00 0.23 H new ATOM 0 HB2 GLN B 55 4.845 -13.487 2.759 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.475 -14.871 3.768 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.376 -14.404 5.208 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.926 -13.127 4.142 1.00 0.18 H new ATOM 0 HE21 GLN B 55 4.710 -13.883 6.687 1.00 0.19 H new ATOM 0 HE22 GLN B 55 3.922 -12.302 6.708 1.00 0.19 H new ATOM 1351 N ALA B 56 5.791 -15.054 0.139 1.00 0.27 N ATOM 1352 CA ALA B 56 5.138 -15.300 -1.137 1.00 0.32 C ATOM 1353 C ALA B 56 4.872 -16.781 -1.427 1.00 0.38 C ATOM 1354 O ALA B 56 3.738 -17.147 -1.740 1.00 0.41 O ATOM 1355 CB ALA B 56 5.985 -14.694 -2.227 1.00 0.39 C ATOM 0 H ALA B 56 6.591 -14.425 0.072 1.00 0.27 H new ATOM 0 HA ALA B 56 4.153 -14.835 -1.096 1.00 0.32 H new ATOM 0 HB1 ALA B 56 5.513 -14.867 -3.194 1.00 0.39 H new ATOM 0 HB2 ALA B 56 6.083 -13.622 -2.058 1.00 0.39 H new ATOM 0 HB3 ALA B 56 6.973 -15.154 -2.218 1.00 0.39 H new ATOM 1416 N GLY C 36 -11.614 -7.270 -3.779 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.636 -6.833 -2.815 1.00 0.20 C ATOM 1418 C GLY C 36 -9.837 -5.653 -3.316 1.00 0.15 C ATOM 1419 O GLY C 36 -10.148 -5.089 -4.361 1.00 0.22 O ATOM 0 HA2 GLY C 36 -11.138 -6.563 -1.886 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -9.961 -7.657 -2.585 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.823 -5.271 -2.564 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.913 -4.215 -2.974 1.00 0.09 C ATOM 1425 C VAL C 37 -6.482 -4.723 -2.815 1.00 0.10 C ATOM 1426 O VAL C 37 -6.174 -5.454 -1.870 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.106 -2.926 -2.139 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.547 -2.450 -2.198 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.666 -3.136 -0.699 1.00 0.10 C ATOM 0 H VAL C 37 -8.606 -5.681 -1.655 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.122 -3.961 -4.013 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.475 -2.151 -2.574 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.655 -1.543 -1.603 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.819 -2.240 -3.232 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.203 -3.225 -1.801 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.813 -2.214 -0.136 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.258 -3.934 -0.250 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.611 -3.411 -0.677 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.633 -4.387 -3.755 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.243 -4.798 -3.709 1.00 0.11 C ATOM 1441 C LEU C 38 -3.339 -3.631 -3.335 1.00 0.12 C ATOM 1442 O LEU C 38 -3.465 -2.538 -3.878 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.853 -5.401 -5.068 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.354 -5.518 -5.364 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.633 -6.167 -4.221 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.105 -6.323 -6.626 1.00 0.74 C ATOM 0 H LEU C 38 -5.879 -3.825 -4.570 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.115 -5.556 -2.936 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.292 -6.396 -5.137 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.309 -4.796 -5.852 1.00 0.13 H new ATOM 0 HG LEU C 38 -1.974 -4.506 -5.505 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.571 -6.239 -4.455 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.767 -5.569 -3.320 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -2.037 -7.166 -4.056 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -1.033 -6.389 -6.810 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.514 -7.326 -6.505 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.589 -5.833 -7.471 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.434 -3.874 -2.393 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.442 -2.893 -2.027 1.00 0.10 C ATOM 1460 C TYR C 39 -0.470 -2.740 -3.171 1.00 0.12 C ATOM 1461 O TYR C 39 0.262 -3.669 -3.516 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.691 -3.315 -0.769 1.00 0.14 C ATOM 1463 CG TYR C 39 0.307 -2.284 -0.292 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.540 -2.133 -0.916 1.00 1.12 C ATOM 1465 CD2 TYR C 39 0.022 -1.470 0.788 1.00 1.09 C ATOM 1466 CE1 TYR C 39 2.456 -1.201 -0.477 1.00 1.12 C ATOM 1467 CE2 TYR C 39 0.934 -0.541 1.234 1.00 1.09 C ATOM 1468 CZ TYR C 39 2.148 -0.410 0.601 1.00 0.16 C ATOM 1469 OH TYR C 39 3.057 0.511 1.059 1.00 0.17 O ATOM 0 H TYR C 39 -2.374 -4.749 -1.872 1.00 0.10 H new ATOM 0 HA TYR C 39 -1.939 -1.945 -1.820 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.410 -3.509 0.027 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.170 -4.252 -0.963 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.785 -2.758 -1.762 1.00 1.12 H new ATOM 0 HD2 TYR C 39 -0.930 -1.564 1.289 1.00 1.09 H new ATOM 0 HE1 TYR C 39 3.407 -1.094 -0.977 1.00 1.12 H new ATOM 0 HE2 TYR C 39 0.696 0.085 2.081 1.00 1.09 H new ATOM 0 HH TYR C 39 2.693 0.966 1.847 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.478 -1.583 -3.769 1.00 0.10 N ATOM 1480 CA VAL C 40 0.456 -1.295 -4.827 1.00 0.11 C ATOM 1481 C VAL C 40 1.246 -0.038 -4.516 1.00 0.10 C ATOM 1482 O VAL C 40 0.768 0.867 -3.841 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.260 -1.141 -6.180 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.159 0.066 -6.179 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.734 -1.035 -7.314 1.00 0.13 C ATOM 0 H VAL C 40 -1.119 -0.822 -3.544 1.00 0.10 H new ATOM 0 HA VAL C 40 1.143 -2.139 -4.897 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.868 -2.033 -6.330 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.653 0.152 -7.147 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.910 -0.040 -5.396 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.566 0.961 -5.994 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.199 -0.927 -8.258 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.373 -0.166 -7.158 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.347 -1.935 -7.346 1.00 0.13 H new ATOM 1495 N GLY C 41 2.461 -0.006 -4.996 1.00 0.10 N ATOM 1496 CA GLY C 41 3.281 1.158 -4.857 1.00 0.09 C ATOM 1497 C GLY C 41 3.798 1.606 -6.194 1.00 0.09 C ATOM 1498 O GLY C 41 3.767 0.843 -7.154 1.00 0.09 O ATOM 0 H GLY C 41 2.903 -0.781 -5.490 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.706 1.961 -4.396 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.117 0.943 -4.192 1.00 0.09 H new ATOM 1502 N SER C 42 4.290 2.820 -6.261 1.00 0.11 N ATOM 1503 CA SER C 42 4.828 3.342 -7.497 1.00 0.12 C ATOM 1504 C SER C 42 6.147 4.019 -7.202 1.00 0.15 C ATOM 1505 O SER C 42 6.236 4.914 -6.357 1.00 0.17 O ATOM 1506 CB SER C 42 3.846 4.299 -8.184 1.00 0.12 C ATOM 1507 OG SER C 42 4.256 4.596 -9.510 1.00 0.15 O ATOM 0 H SER C 42 4.329 3.467 -5.473 1.00 0.11 H new ATOM 0 HA SER C 42 4.990 2.520 -8.194 1.00 0.12 H new ATOM 0 HB2 SER C 42 2.852 3.853 -8.200 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.772 5.222 -7.609 1.00 0.12 H new ATOM 0 HG SER C 42 3.610 5.206 -9.923 1.00 0.15 H new ATOM 1513 N LYS C 43 7.170 3.537 -7.862 1.00 0.16 N ATOM 1514 CA LYS C 43 8.525 3.972 -7.621 1.00 0.19 C ATOM 1515 C LYS C 43 8.840 5.237 -8.409 1.00 0.19 C ATOM 1516 O LYS C 43 9.153 5.170 -9.590 1.00 0.19 O ATOM 1517 CB LYS C 43 9.454 2.862 -8.044 1.00 0.20 C ATOM 1518 CG LYS C 43 10.849 3.058 -7.561 1.00 0.23 C ATOM 1519 CD LYS C 43 10.906 2.853 -6.070 1.00 0.28 C ATOM 1520 CE LYS C 43 12.269 3.137 -5.495 1.00 0.34 C ATOM 1521 NZ LYS C 43 12.817 4.434 -5.970 1.00 0.89 N ATOM 0 H LYS C 43 7.086 2.826 -8.588 1.00 0.16 H new ATOM 0 HA LYS C 43 8.652 4.199 -6.563 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.074 1.913 -7.666 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.458 2.793 -9.132 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.518 2.357 -8.060 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.193 4.061 -7.813 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.172 3.500 -5.590 1.00 0.28 H new ATOM 0 HD3 LYS C 43 10.625 1.826 -5.838 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.208 3.146 -4.407 1.00 0.34 H new ATOM 0 HE3 LYS C 43 12.952 2.333 -5.769 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 13.398 4.861 -5.220 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.403 4.275 -6.814 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 12.034 5.075 -6.208 1.00 0.89 H new ATOM 1535 N THR C 44 8.814 6.371 -7.734 1.00 0.23 N ATOM 1536 CA THR C 44 8.787 7.673 -8.409 1.00 0.26 C ATOM 1537 C THR C 44 9.851 8.647 -7.873 1.00 0.34 C ATOM 1538 O THR C 44 10.892 8.227 -7.370 1.00 0.37 O ATOM 1539 CB THR C 44 7.402 8.330 -8.255 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.198 8.746 -6.895 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.284 7.383 -8.647 1.00 0.26 C ATOM 0 H THR C 44 8.811 6.426 -6.715 1.00 0.23 H new ATOM 0 HA THR C 44 9.005 7.475 -9.458 1.00 0.26 H new ATOM 0 HB THR C 44 7.379 9.192 -8.921 1.00 0.30 H new ATOM 0 HG1 THR C 44 6.316 9.164 -6.810 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.323 7.884 -8.524 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.408 7.085 -9.688 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.316 6.499 -8.010 1.00 0.26 H new ATOM 1549 N LYS C 45 9.578 9.954 -8.019 1.00 0.40 N ATOM 1550 CA LYS C 45 10.467 11.017 -7.534 1.00 0.49 C ATOM 1551 C LYS C 45 10.678 10.923 -6.027 1.00 0.50 C ATOM 1552 O LYS C 45 11.813 10.934 -5.547 1.00 0.57 O ATOM 1553 CB LYS C 45 9.877 12.393 -7.860 1.00 0.59 C ATOM 1554 CG LYS C 45 9.703 12.670 -9.342 1.00 1.53 C ATOM 1555 CD LYS C 45 11.039 12.765 -10.058 1.00 2.10 C ATOM 1556 CE LYS C 45 10.861 13.191 -11.505 1.00 2.43 C ATOM 1557 NZ LYS C 45 10.116 12.179 -12.297 1.00 3.18 N ATOM 0 H LYS C 45 8.735 10.301 -8.476 1.00 0.40 H new ATOM 0 HA LYS C 45 11.427 10.891 -8.035 1.00 0.49 H new ATOM 0 HB2 LYS C 45 8.907 12.483 -7.370 1.00 0.59 H new ATOM 0 HB3 LYS C 45 10.522 13.161 -7.433 1.00 0.59 H new ATOM 0 HG2 LYS C 45 9.105 11.878 -9.792 1.00 1.53 H new ATOM 0 HG3 LYS C 45 9.152 13.601 -9.476 1.00 1.53 H new ATOM 0 HD2 LYS C 45 11.680 13.480 -9.542 1.00 2.10 H new ATOM 0 HD3 LYS C 45 11.544 11.800 -10.020 1.00 2.10 H new ATOM 0 HE2 LYS C 45 10.329 14.142 -11.540 1.00 2.43 H new ATOM 0 HE3 LYS C 45 11.839 13.356 -11.957 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 10.105 12.461 -13.298 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 10.581 11.253 -12.203 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 9.139 12.113 -11.945 1.00 3.18 H new ATOM 1571 N GLU C 46 9.579 10.840 -5.284 1.00 0.47 N ATOM 1572 CA GLU C 46 9.648 10.650 -3.839 1.00 0.51 C ATOM 1573 C GLU C 46 10.140 9.238 -3.578 1.00 0.48 C ATOM 1574 O GLU C 46 10.878 8.963 -2.628 1.00 0.55 O ATOM 1575 CB GLU C 46 8.272 10.897 -3.215 1.00 0.51 C ATOM 1576 CG GLU C 46 7.782 12.322 -3.421 1.00 0.63 C ATOM 1577 CD GLU C 46 6.323 12.509 -3.071 1.00 0.73 C ATOM 1578 OE1 GLU C 46 5.460 12.233 -3.928 1.00 0.72 O ATOM 1579 OE2 GLU C 46 6.028 12.918 -1.928 1.00 0.88 O ATOM 0 H GLU C 46 8.632 10.901 -5.657 1.00 0.47 H new ATOM 0 HA GLU C 46 10.339 11.359 -3.383 1.00 0.51 H new ATOM 0 HB2 GLU C 46 7.551 10.203 -3.648 1.00 0.51 H new ATOM 0 HB3 GLU C 46 8.318 10.684 -2.147 1.00 0.51 H new ATOM 0 HG2 GLU C 46 8.384 12.997 -2.813 1.00 0.63 H new ATOM 0 HG3 GLU C 46 7.938 12.606 -4.462 1.00 0.63 H new ATOM 1586 N GLY C 47 9.708 8.360 -4.456 1.00 0.38 N ATOM 1587 CA GLY C 47 10.338 7.082 -4.636 1.00 0.40 C ATOM 1588 C GLY C 47 9.478 5.926 -4.218 1.00 0.31 C ATOM 1589 O GLY C 47 9.655 4.847 -4.727 1.00 0.38 O ATOM 0 H GLY C 47 8.906 8.519 -5.065 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.607 6.963 -5.686 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.266 7.060 -4.064 1.00 0.40 H new ATOM 1593 N VAL C 48 8.502 6.150 -3.364 1.00 0.21 N ATOM 1594 CA VAL C 48 7.519 5.118 -3.059 1.00 0.15 C ATOM 1595 C VAL C 48 6.209 5.760 -2.636 1.00 0.10 C ATOM 1596 O VAL C 48 6.166 6.530 -1.675 1.00 0.12 O ATOM 1597 CB VAL C 48 8.022 4.098 -1.983 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.882 3.356 -1.318 1.00 0.15 C ATOM 1599 CG2 VAL C 48 8.975 3.088 -2.597 1.00 0.20 C ATOM 0 H VAL C 48 8.364 7.031 -2.868 1.00 0.21 H new ATOM 0 HA VAL C 48 7.359 4.541 -3.970 1.00 0.15 H new ATOM 0 HB VAL C 48 8.541 4.684 -1.224 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.282 2.661 -0.580 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.222 4.070 -0.824 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.320 2.803 -2.070 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.310 2.391 -1.829 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.463 2.539 -3.388 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.836 3.608 -3.016 1.00 0.20 H new ATOM 1609 N VAL C 49 5.155 5.464 -3.372 1.00 0.09 N ATOM 1610 CA VAL C 49 3.825 5.888 -2.986 1.00 0.07 C ATOM 1611 C VAL C 49 2.979 4.669 -2.690 1.00 0.08 C ATOM 1612 O VAL C 49 3.135 3.630 -3.326 1.00 0.12 O ATOM 1613 CB VAL C 49 3.133 6.752 -4.066 1.00 0.07 C ATOM 1614 CG1 VAL C 49 2.952 5.976 -5.366 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.796 7.263 -3.549 1.00 0.09 C ATOM 0 H VAL C 49 5.195 4.931 -4.241 1.00 0.09 H new ATOM 0 HA VAL C 49 3.927 6.511 -2.098 1.00 0.07 H new ATOM 0 HB VAL C 49 3.775 7.606 -4.282 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.463 6.612 -6.104 1.00 0.07 H new ATOM 0 HG12 VAL C 49 3.926 5.666 -5.743 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.337 5.095 -5.181 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.317 7.870 -4.317 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.154 6.417 -3.302 1.00 0.09 H new ATOM 0 HG23 VAL C 49 1.958 7.868 -2.657 1.00 0.09 H new ATOM 1625 N HIS C 50 2.103 4.794 -1.719 1.00 0.08 N ATOM 1626 CA HIS C 50 1.261 3.689 -1.323 1.00 0.09 C ATOM 1627 C HIS C 50 -0.118 3.876 -1.922 1.00 0.07 C ATOM 1628 O HIS C 50 -0.854 4.796 -1.555 1.00 0.09 O ATOM 1629 CB HIS C 50 1.172 3.602 0.199 1.00 0.13 C ATOM 1630 CG HIS C 50 2.423 4.050 0.894 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.544 3.257 0.952 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.678 5.223 1.515 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.451 3.962 1.603 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.971 5.160 1.965 1.00 0.26 N ATOM 0 H HIS C 50 1.955 5.652 -1.188 1.00 0.08 H new ATOM 0 HA HIS C 50 1.693 2.758 -1.689 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.336 4.211 0.542 1.00 0.13 H new ATOM 0 HB3 HIS C 50 0.955 2.573 0.485 1.00 0.13 H new ATOM 0 HD1 HIS C 50 3.653 2.317 0.571 1.00 0.23 H new ATOM 0 HD2 HIS C 50 1.994 6.051 1.634 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.452 3.617 1.817 1.00 0.28 H new ATOM 1642 N GLY C 51 -0.443 3.032 -2.873 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.730 3.098 -3.506 1.00 0.05 C ATOM 1644 C GLY C 51 -2.447 1.782 -3.420 1.00 0.06 C ATOM 1645 O GLY C 51 -1.997 0.867 -2.728 1.00 0.07 O ATOM 0 H GLY C 51 0.168 2.294 -3.222 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.331 3.874 -3.033 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.610 3.382 -4.552 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.548 1.666 -4.127 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.343 0.465 -4.051 1.00 0.08 C ATOM 1651 C VAL C 52 -4.899 0.093 -5.400 1.00 0.09 C ATOM 1652 O VAL C 52 -5.422 0.933 -6.122 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.485 0.576 -2.988 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.758 2.018 -2.583 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.779 -0.042 -3.477 1.00 0.08 C ATOM 0 H VAL C 52 -3.910 2.383 -4.756 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.677 -0.333 -3.724 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.127 0.023 -2.119 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.558 2.043 -1.844 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.855 2.453 -2.155 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -6.056 2.592 -3.460 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.544 0.058 -2.707 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -7.107 0.469 -4.382 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.619 -1.098 -3.694 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.766 -1.176 -5.732 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.342 -1.691 -6.941 1.00 0.10 C ATOM 1667 C ALA C 53 -6.585 -2.473 -6.584 1.00 0.09 C ATOM 1668 O ALA C 53 -6.513 -3.587 -6.076 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.348 -2.566 -7.684 1.00 0.11 C ATOM 0 H ALA C 53 -4.261 -1.865 -5.174 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.604 -0.866 -7.603 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.808 -2.945 -8.597 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.466 -1.979 -7.939 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -4.056 -3.404 -7.051 1.00 0.11 H new ATOM 1675 N THR C 54 -7.719 -1.885 -6.855 1.00 0.09 N ATOM 1676 CA THR C 54 -8.979 -2.430 -6.386 1.00 0.12 C ATOM 1677 C THR C 54 -9.529 -3.454 -7.364 1.00 0.19 C ATOM 1678 O THR C 54 -10.008 -3.115 -8.436 1.00 0.45 O ATOM 1679 CB THR C 54 -9.991 -1.293 -6.186 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.288 -1.811 -5.882 1.00 0.23 O ATOM 1681 CG2 THR C 54 -10.048 -0.429 -7.431 1.00 0.14 C ATOM 0 H THR C 54 -7.804 -1.026 -7.399 1.00 0.09 H new ATOM 0 HA THR C 54 -8.805 -2.933 -5.435 1.00 0.12 H new ATOM 0 HB THR C 54 -9.665 -0.684 -5.343 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.946 -1.085 -5.915 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.768 0.376 -7.283 1.00 0.14 H new ATOM 0 HG22 THR C 54 -9.063 -0.004 -7.624 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.354 -1.037 -8.282 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.534 -4.701 -6.957 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.884 -5.776 -7.857 1.00 0.29 C ATOM 1691 C VAL C 55 -11.309 -6.254 -7.621 1.00 0.36 C ATOM 1692 O VAL C 55 -11.682 -6.638 -6.511 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.877 -6.940 -7.754 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.546 -7.255 -6.296 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -9.399 -8.173 -8.478 1.00 0.39 C ATOM 0 H VAL C 55 -9.300 -4.997 -6.009 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.834 -5.385 -8.873 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.953 -6.630 -8.242 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.834 -8.079 -6.254 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -8.110 -6.375 -5.824 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -9.458 -7.536 -5.768 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -8.672 -8.981 -8.392 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -10.343 -8.485 -8.031 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -9.556 -7.937 -9.531 1.00 0.39 H new ATOM 1705 N ALA C 56 -12.091 -6.229 -8.684 1.00 0.49 N ATOM 1706 CA ALA C 56 -13.499 -6.553 -8.622 1.00 0.64 C ATOM 1707 C ALA C 56 -13.735 -7.980 -9.094 1.00 0.75 C ATOM 1708 O ALA C 56 -13.979 -8.176 -10.302 1.00 1.43 O ATOM 1709 CB ALA C 56 -14.270 -5.567 -9.483 1.00 0.86 C ATOM 1710 OXT ALA C 56 -13.664 -8.904 -8.260 1.00 1.16 O ATOM 0 H ALA C 56 -11.763 -5.982 -9.618 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.847 -6.480 -7.592 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -15.333 -5.803 -9.443 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -14.109 -4.555 -9.111 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -13.922 -5.634 -10.514 1.00 0.86 H new